N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide

C19H27N3O2 — CID 16909883

IUPACN-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)CN2CCC(C(=O)NC3CC3)CC2)cc1C
InChIInChI=1S/C19H27N3O2/c1-13-3-4-17(11-14(13)2)20-18(23)12-22-9-7-15(8-10-22)19(24)21-16-5-6-16/h3-4,11,15-16H,5-10,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyUYJJONQEURHCGK-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.23
Rot. Bonds5

About N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide

N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 16909883) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID16909883
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1ccc(NC(=O)CN2CCC(C(=O)NC3CC3)CC2)cc1C
InChIInChI=1S/C19H27N3O2/c1-13-3-4-17(11-14(13)2)20-18(23)12-22-9-7-15(8-10-22)19(24)21-16-5-6-16/h3-4,11,15-16H,5-10,12H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyUYJJONQEURHCGK-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37466938
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 16909868
N-butyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909784
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 16909824
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2,4-dimethylphenyl)piperidine-4-carboxamide
CID 16909852
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
N-cyclopentyl-1-[2-(3,5-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909326
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide
CID 16909841
N-(5-bromo-2-pyridinyl)-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 55816440
N-[(2,6-difluorophenyl)methyl]-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909878
N-cyclohexyl-1-[2-(3,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909920
1-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 16909809

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 16909883) is N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide is Cc1ccc(NC(=O)CN2CCC(C(=O)NC3CC3)CC2)cc1C.
What is the InChIKey of N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is UYJJONQEURHCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13-3-4-17(11-14(13)2)20-18(23)12-22-9-7-15(8-10-22)19(24)21-16-5-6-16/h3-4,11,15-16H,5-10,12H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 16909883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).