1-[(2-chlorophenyl)methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide

C25H33ClN2O2 — CID 46776614

IUPAC1-[(2-chlorophenyl)methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)C2CCCN(Cc3ccccc3Cl)C2)cc1
InChIInChI=1S/C25H33ClN2O2/c1-18(2)15-24(19-10-12-22(30-3)13-11-19)27-25(29)21-8-6-14-28(17-21)16-20-7-4-5-9-23(20)26/h4-5,7,9-13,18,21,24H,6,8,14-17H2,1-3H3,(H,27,29)
InChIKeyRSIAANWTGKPVES-UHFFFAOYSA-N
MW429.00 g/mol
LogP5.46
Rot. Bonds8

About 1-[(2-chlorophenyl)methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide

1-[(2-chlorophenyl)methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide (PubChem CID 46776614) has the molecular formula C25H33ClN2O2 and a molecular weight of 429.00 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide
PubChem CID46776614
Molecular FormulaC25H33ClN2O2
Molecular Weight429.00 g/mol
Exact Mass428.22
IUPAC Name1-[(2-chlorophenyl)methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide
SMILESCOc1ccc(C(CC(C)C)NC(=O)C2CCCN(Cc3ccccc3Cl)C2)cc1
InChIInChI=1S/C25H33ClN2O2/c1-18(2)15-24(19-10-12-22(30-3)13-11-19)27-25(29)21-8-6-14-28(17-21)16-20-7-4-5-9-23(20)26/h4-5,7,9-13,18,21,24H,6,8,14-17H2,1-3H3,(H,27,29)
InChIKeyRSIAANWTGKPVES-UHFFFAOYSA-N
XLogP5.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.00
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide
CID 46776562
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide
CID 43933946
1-[(2-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 43919687
1-[[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide
CID 43934794
(3R)-1-[(2-chlorophenyl)methyl]-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 100662416
(3R)-1-[(2-chlorophenyl)methyl]-N-(2,4-dimethylpentan-3-yl)piperidine-3-carboxamide
CID 93491358
(3R)-N-benzhydryl-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 38102879
(3R)-1-(benzenesulfonyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide
CID 100659942
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide
CID 100659950
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide
CID 100674518
1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 43918490
(3S)-1-[(2-chlorophenyl)methyl]-N-[(2S)-4-phenylbutan-2-yl]piperidine-3-carboxamide
CID 38102289

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide (CID 46776614) is 1-[(2-chlorophenyl)methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide is COc1ccc(C(CC(C)C)NC(=O)C2CCCN(Cc3ccccc3Cl)C2)cc1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide?
The InChIKey is RSIAANWTGKPVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN2O2/c1-18(2)15-24(19-10-12-22(30-3)13-11-19)27-25(29)21-8-6-14-28(17-21)16-20-7-4-5-9-23(20)26/h4-5,7,9-13,18,21,24H,6,8,14-17H2,1-3H3,(H,27,29).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide?
1-[(2-chlorophenyl)methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide has a molecular weight of 429.00 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-[1-(4-methoxyphenyl)-3-methylbutyl]piperidine-3-carboxamide is sourced from PubChem (CID 46776614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).