N-(3-methylbutyl)-2-(piperidin-1-ylamino)propanamide

C13H27N3O — CID 83015118

IUPACN-(3-methylbutyl)-2-(piperidin-1-ylamino)propanamide
SMILESCC(C)CCNC(=O)C(C)NN1CCCCC1
InChIInChI=1S/C13H27N3O/c1-11(2)7-8-14-13(17)12(3)15-16-9-5-4-6-10-16/h11-12,15H,4-10H2,1-3H3,(H,14,17)
InChIKeyRRSIMYTUTJUFIP-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.53
Rot. Bonds6

About N-(3-methylbutyl)-2-(piperidin-1-ylamino)propanamide

N-(3-methylbutyl)-2-(piperidin-1-ylamino)propanamide (PubChem CID 83015118) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(piperidin-1-ylamino)propanamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(piperidin-1-ylamino)propanamide
PubChem CID83015118
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-(3-methylbutyl)-2-(piperidin-1-ylamino)propanamide
SMILESCC(C)CCNC(=O)C(C)NN1CCCCC1
InChIInChI=1S/C13H27N3O/c1-11(2)7-8-14-13(17)12(3)15-16-9-5-4-6-10-16/h11-12,15H,4-10H2,1-3H3,(H,14,17)
InChIKeyRRSIMYTUTJUFIP-UHFFFAOYSA-N
XLogP1.53
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylbutyl)-2-[(4-methylpiperazin-1-yl)amino]propanamide
CID 83021998
N,N'-bis(3-methylbutyl)-2-(3-piperidin-1-ylpropylamino)propanediamide
CID 139757133
N-(3-methylbutyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942380
1-(3-methylbutyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea
CID 110312214
N-(3-methylbutyl)-2-[(1-methylpiperidin-4-yl)amino]propanamide
CID 43373502
N-phenyl-2-(piperidin-1-ylamino)propanamide
CID 83014289
N-(3-methylbutyl)-3-pyrrolidin-1-ylpropanamide
CID 110688182
N-(3-methylbutyl)-2-[(1-methylcyclopentyl)amino]propanamide
CID 61364600
(2S)-4-methyl-2-(piperidin-1-ylamino)pentanoic acid
CID 175009687
N-(3-methylbutyl)-2-[(1-methylpyrrolidin-3-yl)methylamino]propanamide
CID 60854910
N-(3-methylbutyl)-1,4-thiazepane-4-carboxamide
CID 86999010
1,3-bis(3-methylbutyl)urea
CID 22563958

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(piperidin-1-ylamino)propanamide?
The IUPAC name of N-(3-methylbutyl)-2-(piperidin-1-ylamino)propanamide (CID 83015118) is N-(3-methylbutyl)-2-(piperidin-1-ylamino)propanamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(piperidin-1-ylamino)propanamide?
The canonical SMILES for N-(3-methylbutyl)-2-(piperidin-1-ylamino)propanamide is CC(C)CCNC(=O)C(C)NN1CCCCC1.
What is the InChIKey of N-(3-methylbutyl)-2-(piperidin-1-ylamino)propanamide?
The InChIKey is RRSIMYTUTJUFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(2)7-8-14-13(17)12(3)15-16-9-5-4-6-10-16/h11-12,15H,4-10H2,1-3H3,(H,14,17).
What are the key properties of N-(3-methylbutyl)-2-(piperidin-1-ylamino)propanamide?
N-(3-methylbutyl)-2-(piperidin-1-ylamino)propanamide has a molecular weight of 241.38 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(piperidin-1-ylamino)propanamide is sourced from PubChem (CID 83015118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).