4-(3,3-dimethylazetidin-2-yl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]piperidine-1-carboxamide

C21H28N4O2 — CID 128802136

IUPAC4-(3,3-dimethylazetidin-2-yl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]piperidine-1-carboxamide
SMILESCC1(C)CNC1C1CCN(C(=O)NCc2cc(=O)[nH]c3ccccc23)CC1
InChIInChI=1S/C21H28N4O2/c1-21(2)13-23-19(21)14-7-9-25(10-8-14)20(27)22-12-15-11-18(26)24-17-6-4-3-5-16(15)17/h3-6,11,14,19,23H,7-10,12-13H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyUCULPRFLHQQJLW-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.45
Rot. Bonds3

About 4-(3,3-dimethylazetidin-2-yl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]piperidine-1-carboxamide

4-(3,3-dimethylazetidin-2-yl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]piperidine-1-carboxamide (PubChem CID 128802136) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-(3,3-dimethylazetidin-2-yl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3,3-dimethylazetidin-2-yl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]piperidine-1-carboxamide
PubChem CID128802136
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name4-(3,3-dimethylazetidin-2-yl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]piperidine-1-carboxamide
SMILESCC1(C)CNC1C1CCN(C(=O)NCc2cc(=O)[nH]c3ccccc23)CC1
InChIInChI=1S/C21H28N4O2/c1-21(2)13-23-19(21)14-7-9-25(10-8-14)20(27)22-12-15-11-18(26)24-17-6-4-3-5-16(15)17/h3-6,11,14,19,23H,7-10,12-13H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyUCULPRFLHQQJLW-UHFFFAOYSA-N
XLogP2.45
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-(3,3-dimethylazetidin-2-yl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

3,5-dimethyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]azepane-1-carboxamide
CID 75387845
N-[(2-oxo-1H-quinolin-4-yl)methyl]-5-oxa-8-azaspiro[3.5]nonane-8-carboxamide
CID 86771105
N-[(2-oxo-1H-quinolin-4-yl)methyl]bicyclo[1.1.0]butane-1-carboxamide
CID 166427421
4-[(cyclopropylmethylamino)methyl]-1H-quinolin-2-one
CID 55222341
2-bromo-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide
CID 166383305
2-[(3,4-dichlorophenyl)methyl]-N-[(2-oxo-1H-quinolin-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 167918163
2,3,6-trifluoro-N-[(2-oxo-1H-quinolin-4-yl)methyl]benzamide
CID 86798272
2-methyl-3-(methylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]propanamide;hydrochloride
CID 119803749
5-methyl-N-[(2-oxo-1H-quinolin-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 71863895
2-(2-methoxyethylamino)-N-[(2-oxo-1H-quinolin-4-yl)methyl]acetamide;hydrochloride
CID 119803755
2-amino-N-[(2-oxo-1H-quinolin-4-yl)methyl]pentanamide
CID 119335110
1-[(2-oxo-1H-quinolin-4-yl)methyl]-3-[(2R)-2-phenylbutyl]urea
CID 97033524

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylazetidin-2-yl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(3,3-dimethylazetidin-2-yl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]piperidine-1-carboxamide (CID 128802136) is 4-(3,3-dimethylazetidin-2-yl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(3,3-dimethylazetidin-2-yl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(3,3-dimethylazetidin-2-yl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]piperidine-1-carboxamide is CC1(C)CNC1C1CCN(C(=O)NCc2cc(=O)[nH]c3ccccc23)CC1.
What is the InChIKey of 4-(3,3-dimethylazetidin-2-yl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]piperidine-1-carboxamide?
The InChIKey is UCULPRFLHQQJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-21(2)13-23-19(21)14-7-9-25(10-8-14)20(27)22-12-15-11-18(26)24-17-6-4-3-5-16(15)17/h3-6,11,14,19,23H,7-10,12-13H2,1-2H3,(H,22,27)(H,24,26).
What are the key properties of 4-(3,3-dimethylazetidin-2-yl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]piperidine-1-carboxamide?
4-(3,3-dimethylazetidin-2-yl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]piperidine-1-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylazetidin-2-yl)-N-[(2-oxo-1H-quinolin-4-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 128802136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).