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

C19H24N4O2 — CID 56730488

IUPAC1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
SMILESCN1C(=O)CCC(C(=O)NCCCn2cccn2)C1c1ccccc1
InChIInChI=1S/C19H24N4O2/c1-22-17(24)10-9-16(18(22)15-7-3-2-4-8-15)19(25)20-11-5-13-23-14-6-12-21-23/h2-4,6-8,12,14,16,18H,5,9-11,13H2,1H3,(H,20,25)
InChIKeyOFIWLSMHRUHEFF-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.00
Rot. Bonds6

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

1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide (PubChem CID 56730488) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
PubChem CID56730488
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
SMILESCN1C(=O)CCC(C(=O)NCCCn2cccn2)C1c1ccccc1
InChIInChI=1S/C19H24N4O2/c1-22-17(24)10-9-16(18(22)15-7-3-2-4-8-15)19(25)20-11-5-13-23-14-6-12-21-23/h2-4,6-8,12,14,16,18H,5,9-11,13H2,1H3,(H,20,25)
InChIKeyOFIWLSMHRUHEFF-UHFFFAOYSA-N
XLogP2.00
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-4-methyl-5-oxo-3-phenyl-N-(3-pyrazol-1-ylpropyl)morpholine-2-carboxamide
CID 95737976
1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide
CID 119392654
1,2-bis(4-methoxyphenyl)-6-oxo-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 55596931
N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
CID 119383801
(2R,3R)-6-oxo-2-phenyl-1-(3-pyrazol-1-ylpropyl)piperidine-3-carboxylic acid
CID 95301325
1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
CID 119535808
N-(furan-2-ylmethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 56730502
2-(4-methoxyphenyl)-1-methyl-N-[3-(N-methylanilino)propyl]-6-oxopiperidine-3-carboxamide
CID 171143895
(2R,3S)-1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 124607174
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide
CID 97457717
(2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29131437
(2S,3S)-1-methyl-5-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
CID 125431962

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide (CID 56730488) is 1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide is CN1C(=O)CCC(C(=O)NCCCn2cccn2)C1c1ccccc1.
What is the InChIKey of 1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
The InChIKey is OFIWLSMHRUHEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22-17(24)10-9-16(18(22)15-7-3-2-4-8-15)19(25)20-11-5-13-23-14-6-12-21-23/h2-4,6-8,12,14,16,18H,5,9-11,13H2,1H3,(H,20,25).
What are the key properties of 1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide?
1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 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-pyrazol-1-ylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 56730488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).