3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide

C28H30ClN3O2 — CID 46334145

IUPAC3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCCC(c3cccc(C(=O)NCc4cccc(Cl)c4)c3)C2)cc1
InChIInChI=1S/C28H30ClN3O2/c1-2-20-11-13-26(14-12-20)31-28(34)32-15-5-9-24(19-32)22-7-4-8-23(17-22)27(33)30-18-21-6-3-10-25(29)16-21/h3-4,6-8,10-14,16-17,24H,2,5,9,15,18-19H2,1H3,(H,30,33)(H,31,34)
InChIKeyLLNCNIHUFXKOIP-UHFFFAOYSA-N
MW476.02 g/mol
LogP6.24
Rot. Bonds6

About 3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide

3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide (PubChem CID 46334145) has the molecular formula C28H30ClN3O2 and a molecular weight of 476.02 g/mol. Its IUPAC name is 3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
PubChem CID46334145
Molecular FormulaC28H30ClN3O2
Molecular Weight476.02 g/mol
Exact Mass475.20
IUPAC Name3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
SMILESCCc1ccc(NC(=O)N2CCCC(c3cccc(C(=O)NCc4cccc(Cl)c4)c3)C2)cc1
InChIInChI=1S/C28H30ClN3O2/c1-2-20-11-13-26(14-12-20)31-28(34)32-15-5-9-24(19-32)22-7-4-8-23(17-22)27(33)30-18-21-6-3-10-25(29)16-21/h3-4,6-8,10-14,16-17,24H,2,5,9,15,18-19H2,1H3,(H,30,33)(H,31,34)
InChIKeyLLNCNIHUFXKOIP-UHFFFAOYSA-N
XLogP6.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.02
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334023
(3R)-3-[3-(benzylcarbamoyl)phenyl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 92872490
(3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872664
N-(4-chlorophenyl)-3-[3-[(4-methylsulfanylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334138
(3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 92872741
(3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872750
(3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872816
3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 46334158
(3S)-N-(4-ethylphenyl)-3-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872769
(3S)-N-(4-ethoxyphenyl)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872593
3-[3-[(4-ethylphenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789050
(3S)-N-(4-ethylphenyl)-3-[3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872765

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide (CID 46334145) is 3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide is CCc1ccc(NC(=O)N2CCCC(c3cccc(C(=O)NCc4cccc(Cl)c4)c3)C2)cc1.
What is the InChIKey of 3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide?
The InChIKey is LLNCNIHUFXKOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN3O2/c1-2-20-11-13-26(14-12-20)31-28(34)32-15-5-9-24(19-32)22-7-4-8-23(17-22)27(33)30-18-21-6-3-10-25(29)16-21/h3-4,6-8,10-14,16-17,24H,2,5,9,15,18-19H2,1H3,(H,30,33)(H,31,34).
What are the key properties of 3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide?
3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide has a molecular weight of 476.02 g/mol, XLogP of 6.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 46334145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).