4-(4-tert-butylimidazol-1-yl)-1-methylpiperidine;1-tert-butyl-3-methylpyrrole-2,5-dione;1-tert-butylpyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole-2,5-dione;1-tert-butyl-2H-pyrrol-5-one;4-(3-tert-butylpyrrol-1-yl)-1-methylpiperidine;ethane — IUPAC name, SMILES, InChIKey & properties

Name: 4-(4-tert-butylimidazol-1-yl)-1-methylpiperidine;1-tert-butyl-3-methylpyrrole-2,5-dione;1-tert-butylpyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole-2,5-dione;1-tert-butyl-2H-pyrrol-5-one;4-(3-tert-butylpyrrol-1-yl)-1-methylpiperidine;ethane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 4-(4-tert-butylimidazol-1-yl)-1-methylpiperidine;1-tert-butyl-3-methylpyrrole-2,5-dione;1-tert-butylpyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole-2,5-dione;1-tert-butyl-2H-pyrrol-5-one;4-(3-tert-butylpyrrol-1-yl)-1-methylpiperidine;ethane

4-(4-tert-butylimidazol-1-yl)-1-methylpiperidine;1-tert-butyl-3-methylpyrrole-2,5-dione;1-tert-butylpyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole-2,5-dione;1-tert-butyl-2H-pyrrol-5-one;4-(3-tert-butylpyrrol-1-yl)-1-methylpiperidine;ethane (PubChem CID 157233293) has the molecular formula C117H200N18O5 and a molecular weight of 1939.01 g/mol. Its IUPAC name is 4-(4-tert-butylimidazol-1-yl)-1-methylpiperidine;1-tert-butyl-3-methylpyrrole-2,5-dione;1-tert-butylpyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole-2,5-dione;1-tert-butyl-2H-pyrrol-5-one;4-(3-tert-butylpyrrol-1-yl)-1-methylpiperidine;ethane.

Molecular Properties

Compound Name	4-(4-tert-butylimidazol-1-yl)-1-methylpiperidine;1-tert-butyl-3-methylpyrrole-2,5-dione;1-tert-butylpyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole-2,5-dione;1-tert-butyl-2H-pyrrol-5-one;4-(3-tert-butylpyrrol-1-yl)-1-methylpiperidine;ethane
PubChem CID	157233293
Molecular Formula	C117H200N18O5
Molecular Weight	1939.01 g/mol
Exact Mass	1937.59
IUPAC Name	4-(4-tert-butylimidazol-1-yl)-1-methylpiperidine;1-tert-butyl-3-methylpyrrole-2,5-dione;1-tert-butylpyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole-2,5-dione;1-tert-butyl-2H-pyrrol-5-one;4-(3-tert-butylpyrrol-1-yl)-1-methylpiperidine;ethane
SMILES	CC.CC.CC.CC.CC.CC(C)(C)N1C(=O)C=CC1=O.CC(C)(C)N1CC=CC1=O.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ncccn1.CC(C)(C)n1cccn1.CC1=CC(=O)N(C(C)(C)C)C1=O.CN1CCC(n2cc(C(C)(C)C)cn2)CC1.CN1CCC(n2ccc(C(C)(C)C)c2)CC1.CN1CCC(n2cnc(C(C)(C)C)c2)CC1
InChI	InChI=1S/C14H24N2.2C13H23N3.C9H13NO2.3C9H13N.C8H12N2.C8H11NO2.C8H13NO.C7H12N2.5C2H6/c1-14(2,3)12-5-10-16(11-12)13-6-8-15(4)9-7-13;1-13(2,3)11-9-14-16(10-11)12-5-7-15(4)8-6-12;1-13(2,3)12-9-16(10-14-12)11-5-7-15(4)8-6-11;1-6-5-7(11)10(8(6)12)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)9-6(10)4-5-7(9)11;1-8(2,3)9-6-4-5-7(9)10;1-7(2,3)9-6-4-5-8-9;51-2/h5,10-11,13H,6-9H2,1-4H3;9-10,12H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;5H,1-4H3;34-7H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;4-5H,6H2,1-3H3;4-6H,1-3H3;5*1-2H3
InChIKey	AUISEIQBKWIKCB-UHFFFAOYSA-N
XLogP	26.62
TPSA	227.63 Å²
H-Bond Donors
H-Bond Acceptors	20
Rotatable Bonds	3
Heavy Atoms	140
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1939.01
LogP ≤ 5	26.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-(4-tert-butylimidazol-1-yl)-1-methylpiperidine;1-tert-butyl-3-methylpyrrole-2,5-dione;1-tert-butylpyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole-2,5-dione;1-tert-butyl-2H-pyrrol-5-one;4-(3-tert-butylpyrrol-1-yl)-1-methylpiperidine;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylimidazol-1-yl)-1-methylpiperidine;1-tert-butyl-3-methylpyrrole-2,5-dione;1-tert-butylpyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole-2,5-dione;1-tert-butyl-2H-pyrrol-5-one;4-(3-tert-butylpyrrol-1-yl)-1-methylpiperidine;ethane?

The IUPAC name of 4-(4-tert-butylimidazol-1-yl)-1-methylpiperidine;1-tert-butyl-3-methylpyrrole-2,5-dione;1-tert-butylpyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole-2,5-dione;1-tert-butyl-2H-pyrrol-5-one;4-(3-tert-butylpyrrol-1-yl)-1-methylpiperidine;ethane (CID 157233293) is 4-(4-tert-butylimidazol-1-yl)-1-methylpiperidine;1-tert-butyl-3-methylpyrrole-2,5-dione;1-tert-butylpyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole-2,5-dione;1-tert-butyl-2H-pyrrol-5-one;4-(3-tert-butylpyrrol-1-yl)-1-methylpiperidine;ethane.

What is the SMILES notation for 4-(4-tert-butylimidazol-1-yl)-1-methylpiperidine;1-tert-butyl-3-methylpyrrole-2,5-dione;1-tert-butylpyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole-2,5-dione;1-tert-butyl-2H-pyrrol-5-one;4-(3-tert-butylpyrrol-1-yl)-1-methylpiperidine;ethane?

The canonical SMILES for 4-(4-tert-butylimidazol-1-yl)-1-methylpiperidine;1-tert-butyl-3-methylpyrrole-2,5-dione;1-tert-butylpyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole-2,5-dione;1-tert-butyl-2H-pyrrol-5-one;4-(3-tert-butylpyrrol-1-yl)-1-methylpiperidine;ethane is CC.CC.CC.CC.CC.CC(C)(C)N1C(=O)C=CC1=O.CC(C)(C)N1CC=CC1=O.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1ncccn1.CC(C)(C)n1cccn1.CC1=CC(=O)N(C(C)(C)C)C1=O.CN1CCC(n2cc(C(C)(C)C)cn2)CC1.CN1CCC(n2ccc(C(C)(C)C)c2)CC1.CN1CCC(n2cnc(C(C)(C)C)c2)CC1.

What is the InChIKey of 4-(4-tert-butylimidazol-1-yl)-1-methylpiperidine;1-tert-butyl-3-methylpyrrole-2,5-dione;1-tert-butylpyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole-2,5-dione;1-tert-butyl-2H-pyrrol-5-one;4-(3-tert-butylpyrrol-1-yl)-1-methylpiperidine;ethane?

The InChIKey is AUISEIQBKWIKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2.2C13H23N3.C9H13NO2.3C9H13N.C8H12N2.C8H11NO2.C8H13NO.C7H12N2.5C2H6/c1-14(2,3)12-5-10-16(11-12)13-6-8-15(4)9-7-13;1-13(2,3)11-9-14-16(10-11)12-5-7-15(4)8-6-12;1-13(2,3)12-9-16(10-14-12)11-5-7-15(4)8-6-11;1-6-5-7(11)10(8(6)12)9(2,3)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)9-6(10)4-5-7(9)11;1-8(2,3)9-6-4-5-7(9)10;1-7(2,3)9-6-4-5-8-9;5*1-2/h5,10-11,13H,6-9H2,1-4H3;9-10,12H,5-8H2,1-4H3;9-11H,5-8H2,1-4H3;5H,1-4H3;3*4-7H,1-3H3;4-6H,1-3H3;4-5H,1-3H3;4-5H,6H2,1-3H3;4-6H,1-3H3;5*1-2H3.

What are the key properties of 4-(4-tert-butylimidazol-1-yl)-1-methylpiperidine;1-tert-butyl-3-methylpyrrole-2,5-dione;1-tert-butylpyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole-2,5-dione;1-tert-butyl-2H-pyrrol-5-one;4-(3-tert-butylpyrrol-1-yl)-1-methylpiperidine;ethane?

Where does this data come from?

All data for 4-(4-tert-butylimidazol-1-yl)-1-methylpiperidine;1-tert-butyl-3-methylpyrrole-2,5-dione;1-tert-butylpyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole-2,5-dione;1-tert-butyl-2H-pyrrol-5-one;4-(3-tert-butylpyrrol-1-yl)-1-methylpiperidine;ethane is sourced from PubChem (CID 157233293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).