N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidine-3-carboxamide

C18H25N3O2 — CID 119336564

IUPACN-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(NC(=O)C3CCCNC3)C2=O)cc1
InChIInChI=1S/C18H25N3O2/c1-13-6-8-15(9-7-13)21-11-3-5-16(18(21)23)20-17(22)14-4-2-10-19-12-14/h6-9,14,16,19H,2-5,10-12H2,1H3,(H,20,22)
InChIKeyWAQIWBYZVNAUPY-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.61
Rot. Bonds3

About N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidine-3-carboxamide

N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidine-3-carboxamide (PubChem CID 119336564) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidine-3-carboxamide
PubChem CID119336564
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidine-3-carboxamide
SMILESCc1ccc(N2CCCC(NC(=O)C3CCCNC3)C2=O)cc1
InChIInChI=1S/C18H25N3O2/c1-13-6-8-15(9-7-13)21-11-3-5-16(18(21)23)20-17(22)14-4-2-10-19-12-14/h6-9,14,16,19H,2-5,10-12H2,1H3,(H,20,22)
InChIKeyWAQIWBYZVNAUPY-UHFFFAOYSA-N
XLogP1.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

9-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120991016
N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-3-carboxamide
CID 103796632
N-(1-methyl-2-oxopyrrolidin-3-yl)piperidine-3-carboxamide;hydrochloride
CID 119322684
2-amino-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]acetamide;hydrochloride
CID 119336545
1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 96566181
N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]cyclohexanecarboxamide
CID 53166681
N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120935433
(3R)-1-(4-methylphenyl)-5-oxo-N-[(3S)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide
CID 94811620
(3R)-1-(4-methylphenyl)-5-oxo-N-[(3R)-2-oxopiperidin-3-yl]pyrrolidine-3-carboxamide
CID 94811618
4-(methylamino)-N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]butanamide;hydrochloride
CID 119806345
N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]methanesulfonamide
CID 23394255
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 119303551

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidine-3-carboxamide (CID 119336564) is N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidine-3-carboxamide is Cc1ccc(N2CCCC(NC(=O)C3CCCNC3)C2=O)cc1.
What is the InChIKey of N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidine-3-carboxamide?
The InChIKey is WAQIWBYZVNAUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-6-8-15(9-7-13)21-11-3-5-16(18(21)23)20-17(22)14-4-2-10-19-12-14/h6-9,14,16,19H,2-5,10-12H2,1H3,(H,20,22).
What are the key properties of N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidine-3-carboxamide?
N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidine-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylphenyl)-2-oxopiperidin-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 119336564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).