4-(1-methyl-4-phenylpiperidin-4-yl)-N-phenylpiperazine-1-carboxamide

C23H30N4O — CID 110637988

IUPAC4-(1-methyl-4-phenylpiperidin-4-yl)-N-phenylpiperazine-1-carboxamide
SMILESCN1CCC(c2ccccc2)(N2CCN(C(=O)Nc3ccccc3)CC2)CC1
InChIInChI=1S/C23H30N4O/c1-25-14-12-23(13-15-25,20-8-4-2-5-9-20)27-18-16-26(17-19-27)22(28)24-21-10-6-3-7-11-21/h2-11H,12-19H2,1H3,(H,24,28)
InChIKeyZVZGOVACYPAUKH-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.46
Rot. Bonds3

About 4-(1-methyl-4-phenylpiperidin-4-yl)-N-phenylpiperazine-1-carboxamide

4-(1-methyl-4-phenylpiperidin-4-yl)-N-phenylpiperazine-1-carboxamide (PubChem CID 110637988) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-(1-methyl-4-phenylpiperidin-4-yl)-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1-methyl-4-phenylpiperidin-4-yl)-N-phenylpiperazine-1-carboxamide
PubChem CID110637988
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Name4-(1-methyl-4-phenylpiperidin-4-yl)-N-phenylpiperazine-1-carboxamide
SMILESCN1CCC(c2ccccc2)(N2CCN(C(=O)Nc3ccccc3)CC2)CC1
InChIInChI=1S/C23H30N4O/c1-25-14-12-23(13-15-25,20-8-4-2-5-9-20)27-18-16-26(17-19-27)22(28)24-21-10-6-3-7-11-21/h2-11H,12-19H2,1H3,(H,24,28)
InChIKeyZVZGOVACYPAUKH-UHFFFAOYSA-N
XLogP3.46
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-morpholin-4-yl-N,4-diphenylpiperidine-1-carboxamide
CID 110409254
methyl 4-(1-methyl-4-phenylpiperidin-4-yl)piperazine-1-carboxylate
CID 110409495
[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 110409450
1-[4-(4-methylpiperazin-1-yl)-4-phenylpiperidin-1-yl]propan-1-one
CID 68984658
1-methyl-4-(1-phenylcyclopropyl)piperazine
CID 137320313
(2-methoxyphenyl)-[4-(1-methyl-4-phenylpiperidin-4-yl)piperazin-1-yl]methanone
CID 110637980
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
4-morpholin-4-yl-4-phenyl-N-propylpiperidine-1-carboxamide
CID 110637882
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-4-phenylpiperidin-4-yl)-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-(1-methyl-4-phenylpiperidin-4-yl)-N-phenylpiperazine-1-carboxamide (CID 110637988) is 4-(1-methyl-4-phenylpiperidin-4-yl)-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1-methyl-4-phenylpiperidin-4-yl)-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1-methyl-4-phenylpiperidin-4-yl)-N-phenylpiperazine-1-carboxamide is CN1CCC(c2ccccc2)(N2CCN(C(=O)Nc3ccccc3)CC2)CC1.
What is the InChIKey of 4-(1-methyl-4-phenylpiperidin-4-yl)-N-phenylpiperazine-1-carboxamide?
The InChIKey is ZVZGOVACYPAUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c1-25-14-12-23(13-15-25,20-8-4-2-5-9-20)27-18-16-26(17-19-27)22(28)24-21-10-6-3-7-11-21/h2-11H,12-19H2,1H3,(H,24,28).
What are the key properties of 4-(1-methyl-4-phenylpiperidin-4-yl)-N-phenylpiperazine-1-carboxamide?
4-(1-methyl-4-phenylpiperidin-4-yl)-N-phenylpiperazine-1-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-4-phenylpiperidin-4-yl)-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 110637988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).