N-(4-chlorophenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-3-phenylpiperidine-1-carboxamide

C25H30ClN3O3 — CID 46882986

IUPACN-(4-chlorophenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-3-phenylpiperidine-1-carboxamide
SMILESO=C(CCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1)N1CCOCC1
InChIInChI=1S/C25H30ClN3O3/c26-21-7-9-22(10-8-21)27-24(31)29-14-4-12-25(19-29,20-5-2-1-3-6-20)13-11-23(30)28-15-17-32-18-16-28/h1-3,5-10H,4,11-19H2,(H,27,31)
InChIKeyRPEDWPSRPWEPAU-UHFFFAOYSA-N
MW455.99 g/mol
LogP4.54
Rot. Bonds5

About N-(4-chlorophenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-3-phenylpiperidine-1-carboxamide

N-(4-chlorophenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-3-phenylpiperidine-1-carboxamide (PubChem CID 46882986) has the molecular formula C25H30ClN3O3 and a molecular weight of 455.99 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-3-phenylpiperidine-1-carboxamide
PubChem CID46882986
Molecular FormulaC25H30ClN3O3
Molecular Weight455.99 g/mol
Exact Mass455.20
IUPAC NameN-(4-chlorophenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-3-phenylpiperidine-1-carboxamide
SMILESO=C(CCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1)N1CCOCC1
InChIInChI=1S/C25H30ClN3O3/c26-21-7-9-22(10-8-21)27-24(31)29-14-4-12-25(19-29,20-5-2-1-3-6-20)13-11-23(30)28-15-17-32-18-16-28/h1-3,5-10H,4,11-19H2,(H,27,31)
InChIKeyRPEDWPSRPWEPAU-UHFFFAOYSA-N
XLogP4.54
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Chlorophenyl)-3-(4-(morpholine-4-carbonyl)phenyl)urea
CID 1845020
Methyl 3-(1-(4-chlorophenylcarbamoyl)-3-phenylpiperidin-3-yl)propanoate
CID 25138325
N-(4-chlorophenyl)-3-methyl-3-phenylpiperidine-1-carboxamide
CID 44555473
N-(4-chlorophenyl)-2-(4-morpholinyl)-2-phenylacetamide
CID 2991805
N-(4-chlorophenyl)-N'-[3-(4-morpholinylcarbonyl)phenyl]urea
CID 17205433
1-(4-Chlorophenyl)-3-(4-(4-morpholinopiperidine-1-carbonyl)phenyl)urea
CID 24945438
1-(4-Chlorophenyl)-3-(3-(4-morpholinopiperidine-1-carbonyl)phenyl)urea
CID 24945440
1-(4-Chlorophenyl)-3-(3-fluoro-4-(morpholine-4-carbonyl)phenyl)urea
CID 24945518
3-(3-amino-3-oxopropyl)-N-(4-chlorophenyl)-3-phenylpiperidine-1-carboxamide
CID 46882951
N-(4-chlorophenyl)-3-(3-(methylamino)-3-oxopropyl)-3-phenylpiperidine-1-carboxamide
CID 46882972
1-[[(4-chloroanilino)-oxomethyl]amino]-N-[3-(4-morpholinyl)propyl]-1-cyclohexanecarboxamide
CID 646224
1-(3-Chlorophenyl)-3-[4-[4-morpholinyl(oxo)methyl]phenyl]urea
CID 650428

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-3-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-3-phenylpiperidine-1-carboxamide (CID 46882986) is N-(4-chlorophenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-3-phenylpiperidine-1-carboxamide is O=C(CCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1)N1CCOCC1.
What is the InChIKey of N-(4-chlorophenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-3-phenylpiperidine-1-carboxamide?
The InChIKey is RPEDWPSRPWEPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O3/c26-21-7-9-22(10-8-21)27-24(31)29-14-4-12-25(19-29,20-5-2-1-3-6-20)13-11-23(30)28-15-17-32-18-16-28/h1-3,5-10H,4,11-19H2,(H,27,31).
What are the key properties of N-(4-chlorophenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-3-phenylpiperidine-1-carboxamide?
N-(4-chlorophenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-3-phenylpiperidine-1-carboxamide has a molecular weight of 455.99 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(3-morpholin-4-yl-3-oxopropyl)-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46882986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).