(3S)-1-[[3-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]methyl]piperidine-3-carboxamide

C23H29N3O2 — CID 95130786

IUPAC(3S)-1-[[3-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]methyl]piperidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cccc(CN3CCC[C@H](C(N)=O)C3)c2)c(C)c1
InChIInChI=1S/C23H29N3O2/c1-15-10-16(2)21(17(3)11-15)25-23(28)19-7-4-6-18(12-19)13-26-9-5-8-20(14-26)22(24)27/h4,6-7,10-12,20H,5,8-9,13-14H2,1-3H3,(H2,24,27)(H,25,28)/t20-/m0/s1
InChIKeyWECCUFPGUHJWSP-FQEVSTJZSA-N
MW379.50 g/mol
LogP3.56
Rot. Bonds5

About (3S)-1-[[3-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]methyl]piperidine-3-carboxamide

(3S)-1-[[3-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]methyl]piperidine-3-carboxamide (PubChem CID 95130786) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (3S)-1-[[3-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[[3-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]methyl]piperidine-3-carboxamide
PubChem CID95130786
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(3S)-1-[[3-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]methyl]piperidine-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cccc(CN3CCC[C@H](C(N)=O)C3)c2)c(C)c1
InChIInChI=1S/C23H29N3O2/c1-15-10-16(2)21(17(3)11-15)25-23(28)19-7-4-6-18(12-19)13-26-9-5-8-20(14-26)22(24)27/h4,6-7,10-12,20H,5,8-9,13-14H2,1-3H3,(H2,24,27)(H,25,28)/t20-/m0/s1
InChIKeyWECCUFPGUHJWSP-FQEVSTJZSA-N
XLogP3.56
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-[[(2,4,6-trimethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125866
1-[(3,4-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770442
1-[[3-[3-(dimethylamino)prop-2-enoyl]phenyl]methyl]piperidine-3-carboxamide
CID 69457437
1-[[3-[[[2-(cyclopropylmethylamino)acetyl]amino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119877013
1-[(4-methoxy-3-methylphenyl)methyl]piperidine-3-carboxamide
CID 6456310
3-[(3-methylpiperidin-1-yl)methyl]benzohydrazide
CID 63568661
N-(2,6-dimethylphenyl)-3-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzamide
CID 95131755
3-[[(3S)-3-ethoxycarbonylpiperidin-1-yl]methyl]benzoic acid
CID 122028809
1-[[3-[[(4-ethylphenyl)methylamino]methyl]phenyl]methyl]piperidine-3-carboxamide
CID 119125867
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 30980962
(3S)-1-benzyl-N-(2,6-dimethylphenyl)piperidine-3-carboxamide
CID 801756
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-(2,4,6-trimethylphenyl)benzamide
CID 43923749

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[[3-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[[3-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]methyl]piperidine-3-carboxamide (CID 95130786) is (3S)-1-[[3-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[[3-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[[3-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]methyl]piperidine-3-carboxamide is Cc1cc(C)c(NC(=O)c2cccc(CN3CCC[C@H](C(N)=O)C3)c2)c(C)c1.
What is the InChIKey of (3S)-1-[[3-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is WECCUFPGUHJWSP-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-15-10-16(2)21(17(3)11-15)25-23(28)19-7-4-6-18(12-19)13-26-9-5-8-20(14-26)22(24)27/h4,6-7,10-12,20H,5,8-9,13-14H2,1-3H3,(H2,24,27)(H,25,28)/t20-/m0/s1.
What are the key properties of (3S)-1-[[3-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]methyl]piperidine-3-carboxamide?
(3S)-1-[[3-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[[3-[(2,4,6-trimethylphenyl)carbamoyl]phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95130786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).