(3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide

C18H28N2O — CID 1377142

IUPAC(3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN(Cc2ccc(C)cc2)C1
InChIInChI=1S/C18H28N2O/c1-4-20(5-2)18(21)17-7-6-12-19(14-17)13-16-10-8-15(3)9-11-16/h8-11,17H,4-7,12-14H2,1-3H3/t17-/m0/s1
InChIKeyGIBGRCULXLOSPB-KRWDZBQOSA-N
MW288.44 g/mol
LogP3.08
Rot. Bonds5

About (3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide

(3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 1377142) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is (3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID1377142
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name(3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCCN(CC)C(=O)[C@H]1CCCN(Cc2ccc(C)cc2)C1
InChIInChI=1S/C18H28N2O/c1-4-20(5-2)18(21)17-7-6-12-19(14-17)13-16-10-8-15(3)9-11-16/h8-11,17H,4-7,12-14H2,1-3H3/t17-/m0/s1
InChIKeyGIBGRCULXLOSPB-KRWDZBQOSA-N
XLogP3.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
(3R)-N,N-diethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 26457997
(3R)-1-[(2,5-dimethylphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 2057088
1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 2838224
N-benzyl-1-[[4-[[3-[benzyl(ethyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-ethylpiperidine-3-carboxamide;hydrobromide
CID 67856003
(3R)-N,N-diethyl-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 764273
(3R)-N,N-diethyl-1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 40501214
[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2930824
1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide
CID 136512107
(3S)-1-[(3-ethoxy-4-hydroxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 765858
N,N-diethyl-1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-3-carboxamide
CID 123226166
(3S)-1-[(2,4-dichlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 762813

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide (CID 1377142) is (3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide is CCN(CC)C(=O)[C@H]1CCCN(Cc2ccc(C)cc2)C1.
What is the InChIKey of (3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is GIBGRCULXLOSPB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H28N2O/c1-4-20(5-2)18(21)17-7-6-12-19(14-17)13-16-10-8-15(3)9-11-16/h8-11,17H,4-7,12-14H2,1-3H3/t17-/m0/s1.
What are the key properties of (3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide?
(3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 288.44 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 1377142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).