(3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide

C22H27N3O2 — CID 92872808

IUPAC(3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCCCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C22H27N3O2/c1-2-13-23-21(26)18-9-6-8-17(15-18)19-10-7-14-25(16-19)22(27)24-20-11-4-3-5-12-20/h3-6,8-9,11-12,15,19H,2,7,10,13-14,16H2,1H3,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyJTZMABHMVZDHKE-IBGZPJMESA-N
MW365.48 g/mol
LogP4.24
Rot. Bonds5

About (3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide

(3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide (PubChem CID 92872808) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
PubChem CID92872808
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCCCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1
InChIInChI=1S/C22H27N3O2/c1-2-13-23-21(26)18-9-6-8-17(15-18)19-10-7-14-25(16-19)22(27)24-20-11-4-3-5-12-20/h3-6,8-9,11-12,15,19H,2,7,10,13-14,16H2,1H3,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyJTZMABHMVZDHKE-IBGZPJMESA-N
XLogP4.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[3-(3-methylbutylcarbamoyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872813
3-[3-[2-(4-ethylpiperazin-1-yl)ethylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334212
(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92890982
3-[3-[(2-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334225
(3R)-N-phenyl-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872832
(3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872816
3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 46334219
(3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872821
(3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 92872741
(3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 92872490
(3R)-N-(4-chlorophenyl)-3-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872616
(3S)-N-(4-ethylphenyl)-3-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872769

Frequently Asked Questions

What is the IUPAC name of (3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide (CID 92872808) is (3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide is CCCNC(=O)c1cccc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)c1.
What is the InChIKey of (3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide?
The InChIKey is JTZMABHMVZDHKE-IBGZPJMESA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-13-23-21(26)18-9-6-8-17(15-18)19-10-7-14-25(16-19)22(27)24-20-11-4-3-5-12-20/h3-6,8-9,11-12,15,19H,2,7,10,13-14,16H2,1H3,(H,23,26)(H,24,27)/t19-/m0/s1.
What are the key properties of (3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide?
(3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 4.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 92872808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).