4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

C24H30N4O2 — CID 37332906

IUPAC4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
SMILESCN1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C24H30N4O2/c1-26-16-17-28(22(18-26)19-8-4-2-5-9-19)23(29)20-12-14-27(15-13-20)24(30)25-21-10-6-3-7-11-21/h2-11,20,22H,12-18H2,1H3,(H,25,30)/t22-/m1/s1
InChIKeyMCYJHNHZJONTJI-JOCHJYFZSA-N
MW406.53 g/mol
LogP3.45
Rot. Bonds3

About 4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide

4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 37332906) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
PubChem CID37332906
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
SMILESCN1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)[C@@H](c2ccccc2)C1
InChIInChI=1S/C24H30N4O2/c1-26-16-17-28(22(18-26)19-8-4-2-5-9-19)23(29)20-12-14-27(15-13-20)24(30)25-21-10-6-3-7-11-21/h2-11,20,22H,12-18H2,1H3,(H,25,30)/t22-/m1/s1
InChIKeyMCYJHNHZJONTJI-JOCHJYFZSA-N
XLogP3.45
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 37332907
4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide
CID 24612409
tert-butyl 4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]piperidine-1-carboxylate
CID 30665594
(1-ethylsulfonylpiperidin-4-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 51266743
4-methyl-2-phenyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 42934686
(2R)-4-methyl-2-phenyl-N-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 41484317
(4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578734
(2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide
CID 97314638
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 2113074
N-phenyl-4-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidine-1-carboxamide
CID 42896733
1-[(2S)-4-(1-methylpiperidine-4-carbonyl)-2-phenylpiperazin-1-yl]ethanone
CID 124972769

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide (CID 37332906) is 4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide is CN1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)[C@@H](c2ccccc2)C1.
What is the InChIKey of 4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is MCYJHNHZJONTJI-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-26-16-17-28(22(18-26)19-8-4-2-5-9-19)23(29)20-12-14-27(15-13-20)24(30)25-21-10-6-3-7-11-21/h2-11,20,22H,12-18H2,1H3,(H,25,30)/t22-/m1/s1.
What are the key properties of 4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide?
4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 37332906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).