N-(4-chlorophenyl)-3-[3-(diethylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide

C25H32ClN3O2 — CID 46882973

IUPACN-(4-chlorophenyl)-3-[3-(diethylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide
SMILESCCN(CC)C(=O)CCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C25H32ClN3O2/c1-3-28(4-2)23(30)15-17-25(20-9-6-5-7-10-20)16-8-18-29(19-25)24(31)27-22-13-11-21(26)12-14-22/h5-7,9-14H,3-4,8,15-19H2,1-2H3,(H,27,31)
InChIKeyYWSWCOZFNGPLJG-UHFFFAOYSA-N
MW442.00 g/mol
LogP5.55
Rot. Bonds7

About N-(4-chlorophenyl)-3-[3-(diethylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide

N-(4-chlorophenyl)-3-[3-(diethylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide (PubChem CID 46882973) has the molecular formula C25H32ClN3O2 and a molecular weight of 442.00 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[3-(diethylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[3-(diethylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide
PubChem CID46882973
Molecular FormulaC25H32ClN3O2
Molecular Weight442.00 g/mol
Exact Mass441.22
IUPAC NameN-(4-chlorophenyl)-3-[3-(diethylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide
SMILESCCN(CC)C(=O)CCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C25H32ClN3O2/c1-3-28(4-2)23(30)15-17-25(20-9-6-5-7-10-20)16-8-18-29(19-25)24(31)27-22-13-11-21(26)12-14-22/h5-7,9-14H,3-4,8,15-19H2,1-2H3,(H,27,31)
InChIKeyYWSWCOZFNGPLJG-UHFFFAOYSA-N
XLogP5.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.00
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide
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(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]-3-phenylpropanamide
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N-tert-Butyl-2-{(3R,5R)-3-[3-(4-chloro-phenyl)-ureido]-2-oxo-5-phenyl-2,3,4,5-tetrahydro-benzo[b]azepin-1-yl}-acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[3-(diethylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-[3-(diethylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide (CID 46882973) is N-(4-chlorophenyl)-3-[3-(diethylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[3-(diethylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[3-(diethylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide is CCN(CC)C(=O)CCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of N-(4-chlorophenyl)-3-[3-(diethylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide?
The InChIKey is YWSWCOZFNGPLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O2/c1-3-28(4-2)23(30)15-17-25(20-9-6-5-7-10-20)16-8-18-29(19-25)24(31)27-22-13-11-21(26)12-14-22/h5-7,9-14H,3-4,8,15-19H2,1-2H3,(H,27,31).
What are the key properties of N-(4-chlorophenyl)-3-[3-(diethylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide?
N-(4-chlorophenyl)-3-[3-(diethylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide has a molecular weight of 442.00 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[3-(diethylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46882973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).