(3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide

C20H22ClN3O3 — CID 26586333

IUPAC(3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1Cl
InChIInChI=1S/C20H22ClN3O3/c1-27-18-10-9-16(12-17(18)21)22-19(25)14-6-5-11-24(13-14)20(26)23-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3,(H,22,25)(H,23,26)/t14-/m0/s1
InChIKeyVEKIJOGIHAKEEN-AWEZNQCLSA-N
MW387.87 g/mol
LogP4.23
Rot. Bonds4

About (3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide

(3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide (PubChem CID 26586333) has the molecular formula C20H22ClN3O3 and a molecular weight of 387.87 g/mol. Its IUPAC name is (3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
PubChem CID26586333
Molecular FormulaC20H22ClN3O3
Molecular Weight387.87 g/mol
Exact Mass387.13
IUPAC Name(3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
SMILESCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1Cl
InChIInChI=1S/C20H22ClN3O3/c1-27-18-10-9-16(12-17(18)21)22-19(25)14-6-5-11-24(13-14)20(26)23-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3,(H,22,25)(H,23,26)/t14-/m0/s1
InChIKeyVEKIJOGIHAKEEN-AWEZNQCLSA-N
XLogP4.23
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-3-carboxamide
CID 110344299
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
(3R)-1-(benzenesulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-3-carboxamide
CID 38708605
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786
(3R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 1457022
(3S)-N-(3-chloro-4-methoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 7258369
(3S)-3-N-(2-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 8865149
(3S)-3-N-[4-(methylcarbamoyl)phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9091528
(3R)-3-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 41036902
N-(3-chloro-4-methoxyphenyl)-1-methylpyrrolidine-3-carboxamide
CID 110859513
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3S)-N-(3-chloro-4-methoxyphenyl)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 126398535

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide (CID 26586333) is (3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide is COc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1Cl.
What is the InChIKey of (3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is VEKIJOGIHAKEEN-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H22ClN3O3/c1-27-18-10-9-16(12-17(18)21)22-19(25)14-6-5-11-24(13-14)20(26)23-15-7-3-2-4-8-15/h2-4,7-10,12,14H,5-6,11,13H2,1H3,(H,22,25)(H,23,26)/t14-/m0/s1.
What are the key properties of (3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide?
(3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 387.87 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 26586333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).