(3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide

C21H25N3O3 — CID 97153155

IUPAC(3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@H](C(=O)NCc2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C21H25N3O3/c22-21(26)24-11-5-9-18(14-24)20(25)23-13-17-8-4-10-19(12-17)27-15-16-6-2-1-3-7-16/h1-4,6-8,10,12,18H,5,9,11,13-15H2,(H2,22,26)(H,23,25)/t18-/m0/s1
InChIKeyGKNAMJJTKVTPHM-SFHVURJKSA-N
MW367.45 g/mol
LogP2.67
Rot. Bonds6

About (3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide

(3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 97153155) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
PubChem CID97153155
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
SMILESNC(=O)N1CCC[C@H](C(=O)NCc2cccc(OCc3ccccc3)c2)C1
InChIInChI=1S/C21H25N3O3/c22-21(26)24-11-5-9-18(14-24)20(25)23-13-17-8-4-10-19(12-17)27-15-16-6-2-1-3-7-16/h1-4,6-8,10,12,18H,5,9,11,13-15H2,(H2,22,26)(H,23,25)/t18-/m0/s1
InChIKeyGKNAMJJTKVTPHM-SFHVURJKSA-N
XLogP2.67
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-N-benzylpiperidine-1,3-dicarboxamide
CID 9070998
(3R,6S)-1-acetyl-6-amino-N-[(3-phenylmethoxyphenyl)methyl]azepane-3-carboxamide;hydrochloride
CID 166598822
1-(4-chlorobenzoyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 55709282
(3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 34591979
1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 55794251
3-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 43041664
(3R)-3-N-[(6-methoxynaphthalen-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 30307956
2-[3-[[(1-ethylsulfonylpiperidine-3-carbonyl)amino]methyl]phenoxy]acetic acid
CID 119246551
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 95345541
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 61029424
N-benzyl-1-propanoylpiperidine-3-carboxamide
CID 47255092
1-acetyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 42961707

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide (CID 97153155) is (3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide is NC(=O)N1CCC[C@H](C(=O)NCc2cccc(OCc3ccccc3)c2)C1.
What is the InChIKey of (3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is GKNAMJJTKVTPHM-SFHVURJKSA-N. The full InChI is InChI=1S/C21H25N3O3/c22-21(26)24-11-5-9-18(14-24)20(25)23-13-17-8-4-10-19(12-17)27-15-16-6-2-1-3-7-16/h1-4,6-8,10,12,18H,5,9,11,13-15H2,(H2,22,26)(H,23,25)/t18-/m0/s1.
What are the key properties of (3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide?
(3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 367.45 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[(3-phenylmethoxyphenyl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 97153155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).