N-cyclopropyl-5-(3,3-dimethylbutanoylamino)-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide

C24H37N3O2 — CID 69067927

IUPACN-cyclopropyl-5-(3,3-dimethylbutanoylamino)-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(CN(C(=O)C2CNCC(NC(=O)CC(C)(C)C)C2)C2CC2)c1C
InChIInChI=1S/C24H37N3O2/c1-16-7-6-8-18(17(16)2)15-27(21-9-10-21)23(29)19-11-20(14-25-13-19)26-22(28)12-24(3,4)5/h6-8,19-21,25H,9-15H2,1-5H3,(H,26,28)
InChIKeyHVGQGJBNOLJUKT-UHFFFAOYSA-N
MW399.58 g/mol
LogP3.32
Rot. Bonds6

About N-cyclopropyl-5-(3,3-dimethylbutanoylamino)-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide

N-cyclopropyl-5-(3,3-dimethylbutanoylamino)-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 69067927) has the molecular formula C24H37N3O2 and a molecular weight of 399.58 g/mol. Its IUPAC name is N-cyclopropyl-5-(3,3-dimethylbutanoylamino)-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(3,3-dimethylbutanoylamino)-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide
PubChem CID69067927
Molecular FormulaC24H37N3O2
Molecular Weight399.58 g/mol
Exact Mass399.29
IUPAC NameN-cyclopropyl-5-(3,3-dimethylbutanoylamino)-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1cccc(CN(C(=O)C2CNCC(NC(=O)CC(C)(C)C)C2)C2CC2)c1C
InChIInChI=1S/C24H37N3O2/c1-16-7-6-8-18(17(16)2)15-27(21-9-10-21)23(29)19-11-20(14-25-13-19)26-22(28)12-24(3,4)5/h6-8,19-21,25H,9-15H2,1-5H3,(H,26,28)
InChIKeyHVGQGJBNOLJUKT-UHFFFAOYSA-N
XLogP3.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.58
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-1,2,3,6-tetrahydropyridine-5-carboxamide
CID 142846315
(3S,5R)-N-cyclopropyl-5-(2,2-dimethylpropanoylamino)-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]piperidine-3-carboxamide
CID 15984478
N-cyclopropyl-4-[(3,5-dichlorobenzoyl)amino]-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 71586293
tert-butyl N-[5-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]piperidin-3-yl]carbamate
CID 69066986
tert-butyl 5-[cyclopropyl-[(2,3-dimethylphenyl)methyl]carbamoyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 142671507
(3R,4S,5R)-N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-5-(hydroxymethyl)-4-(3-phenylphenyl)piperidine-3-carboxamide
CID 11847655
tert-butyl (3R,4S)-3-[cyclopropyl-[(2,3-dimethylphenyl)methyl]carbamoyl]-4-(3-hydroxyphenyl)piperidine-1-carboxylate
CID 58005709
2-methoxyethyl N-[5-[cyclopropyl-[[1-(3-methoxypropyl)indol-3-yl]methyl]carbamoyl]piperidin-3-yl]carbamate
CID 69065258
(3R,4S)-N-cyclopropyl-N-[(2,3-dimethylphenyl)methyl]-4-(3-pyridin-4-ylphenyl)piperidine-3-carboxamide
CID 11611918
(6aR)-N-cyclopropyl-5-[4-[2-(2,6-dichlorophenoxy)ethoxy]phenyl]-N-[(2,3-dimethylphenyl)methyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-4-carboxamide
CID 69409248
N-(azetidin-3-yl)-3-(2-methylphenyl)propanamide
CID 66186748
N-cyclopropyl-N-[[1-(3-methoxypropyl)indol-3-yl]methyl]-5-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]piperidine-3-carboxamide
CID 69066967

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(3,3-dimethylbutanoylamino)-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-5-(3,3-dimethylbutanoylamino)-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide (CID 69067927) is N-cyclopropyl-5-(3,3-dimethylbutanoylamino)-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(3,3-dimethylbutanoylamino)-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(3,3-dimethylbutanoylamino)-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide is Cc1cccc(CN(C(=O)C2CNCC(NC(=O)CC(C)(C)C)C2)C2CC2)c1C.
What is the InChIKey of N-cyclopropyl-5-(3,3-dimethylbutanoylamino)-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is HVGQGJBNOLJUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2/c1-16-7-6-8-18(17(16)2)15-27(21-9-10-21)23(29)19-11-20(14-25-13-19)26-22(28)12-24(3,4)5/h6-8,19-21,25H,9-15H2,1-5H3,(H,26,28).
What are the key properties of N-cyclopropyl-5-(3,3-dimethylbutanoylamino)-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide?
N-cyclopropyl-5-(3,3-dimethylbutanoylamino)-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 399.58 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(3,3-dimethylbutanoylamino)-N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 69067927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).