N-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide

C14H26N2O — CID 115626438

IUPACN-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide
SMILESCCC(CC1CC1)NC(=O)N1CCCC(C)C1
InChIInChI=1S/C14H26N2O/c1-3-13(9-12-6-7-12)15-14(17)16-8-4-5-11(2)10-16/h11-13H,3-10H2,1-2H3,(H,15,17)
InChIKeyPQLKLMOOYUHWGU-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.01
Rot. Bonds4

About N-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide

N-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide (PubChem CID 115626438) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide
PubChem CID115626438
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide
SMILESCCC(CC1CC1)NC(=O)N1CCCC(C)C1
InChIInChI=1S/C14H26N2O/c1-3-13(9-12-6-7-12)15-14(17)16-8-4-5-11(2)10-16/h11-13H,3-10H2,1-2H3,(H,15,17)
InChIKeyPQLKLMOOYUHWGU-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopropylbutan-2-yl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 75423432
N-(1-cyanopropyl)-3-methylpiperidine-1-carboxamide
CID 79159247
(3S)-1-(hexan-3-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125361
(3R)-1-(cyclopropanecarbonyl)-N-[(2R)-1-cyclopropylbutan-2-yl]piperidine-3-carboxamide
CID 97316640
N-hexan-2-yl-3-methylpiperidine-1-carboxamide
CID 116655502
N-ethyl-3-methylpiperidine-1-carboxamide
CID 89048200
3-methyl-N-(4-methylpentan-2-yl)piperidine-1-carboxamide
CID 115760637
2-(1-cyclopropylbutan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 63993753
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide
CID 60547159
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
N-(4-amino-4-oxobutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 116657977
(3S)-1-(1-cyclopropylpropan-2-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81125514

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide (CID 115626438) is N-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide is CCC(CC1CC1)NC(=O)N1CCCC(C)C1.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide?
The InChIKey is PQLKLMOOYUHWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-13(9-12-6-7-12)15-14(17)16-8-4-5-11(2)10-16/h11-13H,3-10H2,1-2H3,(H,15,17).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide?
N-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 115626438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).