(3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide

C28H28ClN3O3 — CID 92729380

IUPAC(3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)c1)c1ccccc1Cl
InChIInChI=1S/C28H28ClN3O3/c29-25-14-5-4-13-24(25)27(34)31-23-12-6-10-21(18-23)28(35)32-17-7-11-22(19-32)26(33)30-16-15-20-8-2-1-3-9-20/h1-6,8-10,12-14,18,22H,7,11,15-17,19H2,(H,30,33)(H,31,34)/t22-/m1/s1
InChIKeyVOBTXFAKOMGZPU-JOCHJYFZSA-N
MW490.00 g/mol
LogP4.80
Rot. Bonds7

About (3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide

(3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide (PubChem CID 92729380) has the molecular formula C28H28ClN3O3 and a molecular weight of 490.00 g/mol. Its IUPAC name is (3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
PubChem CID92729380
Molecular FormulaC28H28ClN3O3
Molecular Weight490.00 g/mol
Exact Mass489.18
IUPAC Name(3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)c1)c1ccccc1Cl
InChIInChI=1S/C28H28ClN3O3/c29-25-14-5-4-13-24(25)27(34)31-23-12-6-10-21(18-23)28(35)32-17-7-11-22(19-32)26(33)30-16-15-20-8-2-1-3-9-20/h1-6,8-10,12-14,18,22H,7,11,15-17,19H2,(H,30,33)(H,31,34)/t22-/m1/s1
InChIKeyVOBTXFAKOMGZPU-JOCHJYFZSA-N
XLogP4.80
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.00
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(4-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 50829376
(3S)-1-(3-benzamidobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 92729519
(3S)-1-(3-chlorobenzoyl)-N-(2-phenylethyl)piperidine-3-carboxamide
CID 94082169
(3S)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-prop-2-enylpiperidine-3-carboxamide
CID 92729383
(3S)-1-(2-chlorobenzoyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 94082332
N-benzyl-1-[3-[(4-methylbenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 50829419
(3R)-N-butyl-1-[4-[(2-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 92729025
(3S)-N-butyl-1-[3-[(4-chlorobenzoyl)amino]benzoyl]piperidine-3-carboxamide
CID 92733913
1-[3-[(2-methylbenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 50829421
N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 55631090
1-[3-[(2-fluorobenzoyl)amino]benzoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 50829352
(3S)-1-(3-acetamidobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 92729485

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide (CID 92729380) is (3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide is O=C(Nc1cccc(C(=O)N2CCC[C@@H](C(=O)NCCc3ccccc3)C2)c1)c1ccccc1Cl.
What is the InChIKey of (3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
The InChIKey is VOBTXFAKOMGZPU-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H28ClN3O3/c29-25-14-5-4-13-24(25)27(34)31-23-12-6-10-21(18-23)28(35)32-17-7-11-22(19-32)26(33)30-16-15-20-8-2-1-3-9-20/h1-6,8-10,12-14,18,22H,7,11,15-17,19H2,(H,30,33)(H,31,34)/t22-/m1/s1.
What are the key properties of (3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide?
(3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide has a molecular weight of 490.00 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[3-[(2-chlorobenzoyl)amino]benzoyl]-N-(2-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 92729380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).