1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide

C20H30N4O2 — CID 119392654

IUPAC1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide
SMILESCN1C(=O)CCC(C(=O)NCCCN2CCNCC2)C1c1ccccc1
InChIInChI=1S/C20H30N4O2/c1-23-18(25)9-8-17(19(23)16-6-3-2-4-7-16)20(26)22-10-5-13-24-14-11-21-12-15-24/h2-4,6-7,17,19,21H,5,8-15H2,1H3,(H,22,26)
InChIKeyNUHAMFMSLKFWIH-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.01
Rot. Bonds6

About 1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide

1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide (PubChem CID 119392654) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide
PubChem CID119392654
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide
SMILESCN1C(=O)CCC(C(=O)NCCCN2CCNCC2)C1c1ccccc1
InChIInChI=1S/C20H30N4O2/c1-23-18(25)9-8-17(19(23)16-6-3-2-4-7-16)20(26)22-10-5-13-24-14-11-21-12-15-24/h2-4,6-7,17,19,21H,5,8-15H2,1H3,(H,22,26)
InChIKeyNUHAMFMSLKFWIH-UHFFFAOYSA-N
XLogP1.01
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(2-piperazin-1-ylethyl)piperidine-3-carboxamide
CID 119449284
1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
CID 119535808
1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 56730488
N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
CID 119383801
2-(3-chlorophenyl)-1-methyl-5-oxo-N-(3-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 119392607
N-[3-(azepan-1-yl)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 171143894
N-(furan-2-ylmethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 56730502
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide
CID 97457717
2-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide
CID 171143895
(2R)-4-methyl-2-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]pentanoic acid
CID 119364584
(2R,3R)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 95738423
(2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 124607174

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide (CID 119392654) is 1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide is CN1C(=O)CCC(C(=O)NCCCN2CCNCC2)C1c1ccccc1.
What is the InChIKey of 1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide?
The InChIKey is NUHAMFMSLKFWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-23-18(25)9-8-17(19(23)16-6-3-2-4-7-16)20(26)22-10-5-13-24-14-11-21-12-15-24/h2-4,6-7,17,19,21H,5,8-15H2,1H3,(H,22,26).
What are the key properties of 1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide?
1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide has a molecular weight of 358.49 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 119392654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).