4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide

C16H25N3O2 — CID 113110333

IUPAC4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(C(C)(C)C)CC2)c1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)19-10-8-18(9-11-19)15(20)17-13-6-5-7-14(12-13)21-4/h5-7,12H,8-11H2,1-4H3,(H,17,20)
InChIKeyNBXFTLNMWOMNBC-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.64
Rot. Bonds2

About 4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide

4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 113110333) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
PubChem CID113110333
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(C(C)(C)C)CC2)c1
InChIInChI=1S/C16H25N3O2/c1-16(2,3)19-10-8-18(9-11-19)15(20)17-13-6-5-7-14(12-13)21-4/h5-7,12H,8-11H2,1-4H3,(H,17,20)
InChIKeyNBXFTLNMWOMNBC-UHFFFAOYSA-N
XLogP2.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61321561
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
(3R,4S)-4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 97261232
4-[(2R)-2-hydroxypropyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 95145813
4-tert-butyl-3-hydroxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 75449592
N-(3-methoxyphenyl)-4-methyl-4-(methylamino)piperidine-1-carboxamide
CID 115304682
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2982408
N-(3-methoxyphenyl)-4-[2-(trifluoromethyl)benzoyl]piperazine-1-carboxamide
CID 55629643
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide (CID 113110333) is 4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(C(C)(C)C)CC2)c1.
What is the InChIKey of 4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is NBXFTLNMWOMNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-16(2,3)19-10-8-18(9-11-19)15(20)17-13-6-5-7-14(12-13)21-4/h5-7,12H,8-11H2,1-4H3,(H,17,20).
What are the key properties of 4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide?
4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).