N-[2-(2-chlorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide

C23H27ClN2O2 — CID 24816628

IUPACN-[2-(2-chlorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1Cl)C1CCC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C23H27ClN2O2/c24-21-11-5-4-10-19(21)14-15-25-23(28)20-12-13-22(27)26(17-20)16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,20H,6,9,12-17H2,(H,25,28)
InChIKeyXOYRBGHVTWXUGP-UHFFFAOYSA-N
MW398.93 g/mol
LogP3.87
Rot. Bonds8

About N-[2-(2-chlorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide

N-[2-(2-chlorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide (PubChem CID 24816628) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
PubChem CID24816628
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC NameN-[2-(2-chlorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
SMILESO=C(NCCc1ccccc1Cl)C1CCC(=O)N(CCCc2ccccc2)C1
InChIInChI=1S/C23H27ClN2O2/c24-21-11-5-4-10-19(21)14-15-25-23(28)20-12-13-22(27)26(17-20)16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,20H,6,9,12-17H2,(H,25,28)
InChIKeyXOYRBGHVTWXUGP-UHFFFAOYSA-N
XLogP3.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.93
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-chlorophenyl)ethyl]-1-cyclohexyl-5-oxo-3-pyrrolidinecarboxamide
CID 2926616
(4R,5R)-5-amino-4-(2-chlorophenyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 16204462
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 17173959
N-(1-benzylpiperidin-4-yl)-2-(2-chlorophenyl)acetamide
CID 10736122
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4877450
(4R,5R)-5-amino-1-benzyl-4-(2-chlorophenyl)piperidin-2-one
CID 16203032
N-(1-benzylpiperidin-4-yl)-2-(4-chlorophenyl)acetamide
CID 1245023
Cambridge id 7028241
CID 1534372
1-[(3-chlorophenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidinecarboxamide
CID 3500831
N-[2-(4-chlorophenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 4129974
3-(carbamoylamino)-3-(2-chlorophenyl)-N-(3-phenylpropyl)propanamide
CID 4878036
(3R,4S)-4-(4-chlorophenyl)-N-[5-[[(3R,4S)-4-(4-chlorophenyl)-1-methylpiperidine-3-carbonyl]amino]pentyl]-1-methylpiperidine-3-carboxamide
CID 9829594

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide (CID 24816628) is N-[2-(2-chlorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide is O=C(NCCc1ccccc1Cl)C1CCC(=O)N(CCCc2ccccc2)C1.
What is the InChIKey of N-[2-(2-chlorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
The InChIKey is XOYRBGHVTWXUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c24-21-11-5-4-10-19(21)14-15-25-23(28)20-12-13-22(27)26(17-20)16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,20H,6,9,12-17H2,(H,25,28).
What are the key properties of N-[2-(2-chlorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
N-[2-(2-chlorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide has a molecular weight of 398.93 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)ethyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 24816628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).