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

C22H26ClN3O2 — CID 46882972

IUPACN-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide
SMILESCNC(=O)CCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H26ClN3O2/c1-24-20(27)12-14-22(17-6-3-2-4-7-17)13-5-15-26(16-22)21(28)25-19-10-8-18(23)9-11-19/h2-4,6-11H,5,12-16H2,1H3,(H,24,27)(H,25,28)
InChIKeyANRFQNJNXPRQGM-UHFFFAOYSA-N
MW399.92 g/mol
LogP4.43
Rot. Bonds5

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

N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide (PubChem CID 46882972) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide
PubChem CID46882972
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide
SMILESCNC(=O)CCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C22H26ClN3O2/c1-24-20(27)12-14-22(17-6-3-2-4-7-17)13-5-15-26(16-22)21(28)25-19-10-8-18(23)9-11-19/h2-4,6-11H,5,12-16H2,1H3,(H,24,27)(H,25,28)
InChIKeyANRFQNJNXPRQGM-UHFFFAOYSA-N
XLogP4.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide (CID 46882972) is N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide is CNC(=O)CCC1(c2ccccc2)CCCN(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide?
The InChIKey is ANRFQNJNXPRQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-24-20(27)12-14-22(17-6-3-2-4-7-17)13-5-15-26(16-22)21(28)25-19-10-8-18(23)9-11-19/h2-4,6-11H,5,12-16H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide?
N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide has a molecular weight of 399.92 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-[3-(methylamino)-3-oxopropyl]-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46882972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).