1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide

C19H27N3O2 — CID 119535808

IUPAC1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
SMILESCN1C(=O)CCC(C(=O)NCCC2CCNC2)C1c1ccccc1
InChIInChI=1S/C19H27N3O2/c1-22-17(23)8-7-16(18(22)15-5-3-2-4-6-15)19(24)21-12-10-14-9-11-20-13-14/h2-6,14,16,18,20H,7-13H2,1H3,(H,21,24)
InChIKeyIKZHZVKKFUQBNB-UHFFFAOYSA-N
MW329.44 g/mol
LogP1.71
Rot. Bonds5

About 1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide

1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide (PubChem CID 119535808) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
PubChem CID119535808
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide
SMILESCN1C(=O)CCC(C(=O)NCCC2CCNC2)C1c1ccccc1
InChIInChI=1S/C19H27N3O2/c1-22-17(23)8-7-16(18(22)15-5-3-2-4-6-15)19(24)21-12-10-14-9-11-20-13-14/h2-6,14,16,18,20H,7-13H2,1H3,(H,21,24)
InChIKeyIKZHZVKKFUQBNB-UHFFFAOYSA-N
XLogP1.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-6-oxo-2-phenyl-N-(3-piperazin-1-ylpropyl)piperidine-3-carboxamide
CID 119392654
N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
CID 119383801
N-(furan-2-ylmethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 56730502
1-methyl-6-oxo-2-phenyl-N-(3-pyrazol-1-ylpropyl)piperidine-3-carboxamide
CID 56730488
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide
CID 97457717
4-phenyl-N-(2-pyrrolidin-3-ylethyl)cyclohexane-1-carboxamide
CID 119535763
2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(piperidin-3-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119464682
(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
2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(2-piperazin-1-ylethyl)piperidine-3-carboxamide
CID 119449284
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 136525165
(2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29131437

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide (CID 119535808) is 1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide is CN1C(=O)CCC(C(=O)NCCC2CCNC2)C1c1ccccc1.
What is the InChIKey of 1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide?
The InChIKey is IKZHZVKKFUQBNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-22-17(23)8-7-16(18(22)15-5-3-2-4-6-15)19(24)21-12-10-14-9-11-20-13-14/h2-6,14,16,18,20H,7-13H2,1H3,(H,21,24).
What are the key properties of 1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide?
1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-2-phenyl-N-(2-pyrrolidin-3-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 119535808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).