(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide

C21H25N3O3 — CID 9083501

IUPAC(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCOc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H25N3O3/c1-27-19-12-6-5-8-16(19)14-22-20(25)17-9-7-13-24(15-17)21(26)23-18-10-3-2-4-11-18/h2-6,8,10-12,17H,7,9,13-15H2,1H3,(H,22,25)(H,23,26)/t17-/m0/s1
InChIKeyHOIVOFUFYKONGT-KRWDZBQOSA-N
MW367.45 g/mol
LogP3.26
Rot. Bonds5

About (3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide

(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 9083501) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID9083501
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCOc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H25N3O3/c1-27-19-12-6-5-8-16(19)14-22-20(25)17-9-7-13-24(15-17)21(26)23-18-10-3-2-4-11-18/h2-6,8,10-12,17H,7,9,13-15H2,1H3,(H,22,25)(H,23,26)/t17-/m0/s1
InChIKeyHOIVOFUFYKONGT-KRWDZBQOSA-N
XLogP3.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-N-phenyl-3-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1,3-dicarboxamide
CID 8532806
3-N-[[2-(3-methylbutoxy)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 60618232
(3R)-3-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9069548
3-N-[(2,3-dimethoxyphenyl)methyl]-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55912491
(3R)-1-(2-chlorobenzoyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082337
(3S)-3-N-[(2-fluorophenyl)methyl]-1-N-(4-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 51552826
(3S)-3-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9074260
1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148544
(3R)-N-[(2-methoxyphenyl)methyl]-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082698
1-N-phenyl-3-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 55454864
N-(4-fluorophenyl)-5-[(3R)-3-[(2-methoxyphenyl)methylcarbamoyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 92890455
3-N-(2-anilino-2-oxoethyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 55991364

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide (CID 9083501) is (3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide is COc1ccccc1CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1.
What is the InChIKey of (3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is HOIVOFUFYKONGT-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-27-19-12-6-5-8-16(19)14-22-20(25)17-9-7-13-24(15-17)21(26)23-18-10-3-2-4-11-18/h2-6,8,10-12,17H,7,9,13-15H2,1H3,(H,22,25)(H,23,26)/t17-/m0/s1.
What are the key properties of (3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide?
(3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[(2-methoxyphenyl)methyl]-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 9083501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).