1-tert-butyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide

C18H34N4O2 — CID 131913294

IUPAC1-tert-butyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN1CCC(CNC(=O)C2CC(=O)N(C(C)(C)C)C2)(N(C)C)CC1
InChIInChI=1S/C18H34N4O2/c1-17(2,3)22-12-14(11-15(22)23)16(24)19-13-18(20(4)5)7-9-21(6)10-8-18/h14H,7-13H2,1-6H3,(H,19,24)
InChIKeyQFCHDNVUDAWDEB-UHFFFAOYSA-N
MW338.50 g/mol
LogP0.78
Rot. Bonds4

About 1-tert-butyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide

1-tert-butyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 131913294) has the molecular formula C18H34N4O2 and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-tert-butyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID131913294
Molecular FormulaC18H34N4O2
Molecular Weight338.50 g/mol
Exact Mass338.27
IUPAC Name1-tert-butyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCN1CCC(CNC(=O)C2CC(=O)N(C(C)(C)C)C2)(N(C)C)CC1
InChIInChI=1S/C18H34N4O2/c1-17(2,3)22-12-14(11-15(22)23)16(24)19-13-18(20(4)5)7-9-21(6)10-8-18/h14H,7-13H2,1-6H3,(H,19,24)
InChIKeyQFCHDNVUDAWDEB-UHFFFAOYSA-N
XLogP0.78
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-tert-butyl-N-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 18885871
1-tert-butyl-N-[(1-hydroxycyclohexyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 131914241
(3R)-1-tert-butyl-N-[2-[4-(dimethylamino)phenyl]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97118651
(3R)-1-tert-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9352419
1-tert-butyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 17081114
1-tert-butyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 128645425
(3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylic acid
CID 735283
(3R)-1-tert-butyl-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 9352536
1-tert-butyl-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70732801
1-tert-butyl-N-[(4-methylsulfanylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 70756271
(3S)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-1-(4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 124753007
methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate
CID 92755216

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide (CID 131913294) is 1-tert-butyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide is CN1CCC(CNC(=O)C2CC(=O)N(C(C)(C)C)C2)(N(C)C)CC1.
What is the InChIKey of 1-tert-butyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QFCHDNVUDAWDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O2/c1-17(2,3)22-12-14(11-15(22)23)16(24)19-13-18(20(4)5)7-9-21(6)10-8-18/h14H,7-13H2,1-6H3,(H,19,24).
What are the key properties of 1-tert-butyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide?
1-tert-butyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 338.50 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 131913294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).