(3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide

C27H28ClN3O3 — CID 92872501

IUPAC(3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)Nc4cccc(Cl)c4)c3)C2)cc1
InChIInChI=1S/C27H28ClN3O3/c1-2-34-25-13-11-23(12-14-25)30-27(33)31-15-5-8-21(18-31)19-6-3-7-20(16-19)26(32)29-24-10-4-9-22(28)17-24/h3-4,6-7,9-14,16-17,21H,2,5,8,15,18H2,1H3,(H,29,32)(H,30,33)/t21-/m1/s1
InChIKeyXAZCUNXEAPGLCT-OAQYLSRUSA-N
MW477.99 g/mol
LogP6.40
Rot. Bonds6

About (3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide

(3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide (PubChem CID 92872501) has the molecular formula C27H28ClN3O3 and a molecular weight of 477.99 g/mol. Its IUPAC name is (3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
PubChem CID92872501
Molecular FormulaC27H28ClN3O3
Molecular Weight477.99 g/mol
Exact Mass477.18
IUPAC Name(3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)Nc4cccc(Cl)c4)c3)C2)cc1
InChIInChI=1S/C27H28ClN3O3/c1-2-34-25-13-11-23(12-14-25)30-27(33)31-15-5-8-21(18-31)19-6-3-7-20(16-19)26(32)29-24-10-4-9-22(28)17-24/h3-4,6-7,9-14,16-17,21H,2,5,8,15,18H2,1H3,(H,29,32)(H,30,33)/t21-/m1/s1
InChIKeyXAZCUNXEAPGLCT-OAQYLSRUSA-N
XLogP6.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.99
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
CID 46334031
3-[3-(cycloheptylcarbamoyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 46334034
3-[3-[(2,4-difluorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 46334037
(3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872545
N-(4-ethoxyphenyl)-3-[3-[(5-methylfuran-2-yl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334063
(3S)-N-(4-ethoxyphenyl)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872593
N-(4-ethoxyphenyl)-3-[3-(pyridin-3-ylmethylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 46334029
N-(4-ethoxyphenyl)-3-[3-[2-(furan-2-yl)ethylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334076
3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 46334145
(3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872664
(3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872808
(3S)-N-methyl-3-[3-[(4-propan-2-ylphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
CID 92891393

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide (CID 92872501) is (3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCC[C@@H](c3cccc(C(=O)Nc4cccc(Cl)c4)c3)C2)cc1.
What is the InChIKey of (3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is XAZCUNXEAPGLCT-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H28ClN3O3/c1-2-34-25-13-11-23(12-14-25)30-27(33)31-15-5-8-21(18-31)19-6-3-7-20(16-19)26(32)29-24-10-4-9-22(28)17-24/h3-4,6-7,9-14,16-17,21H,2,5,8,15,18H2,1H3,(H,29,32)(H,30,33)/t21-/m1/s1.
What are the key properties of (3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide?
(3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 477.99 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[3-[(3-chlorophenyl)carbamoyl]phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 92872501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).