2-(cyclopropylamino)-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanamide

C16H31N3O — CID 64703050

IUPAC2-(cyclopropylamino)-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanamide
SMILESCC(CC(C)(NC1CC1)C(N)=O)N1CCCC(C)(C)C1
InChIInChI=1S/C16H31N3O/c1-12(19-9-5-8-15(2,3)11-19)10-16(4,14(17)20)18-13-6-7-13/h12-13,18H,5-11H2,1-4H3,(H2,17,20)
InChIKeyXPZCVPJNDFPZFC-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.88
Rot. Bonds6

About 2-(cyclopropylamino)-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanamide

2-(cyclopropylamino)-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanamide (PubChem CID 64703050) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanamide
PubChem CID64703050
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-(cyclopropylamino)-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanamide
SMILESCC(CC(C)(NC1CC1)C(N)=O)N1CCCC(C)(C)C1
InChIInChI=1S/C16H31N3O/c1-12(19-9-5-8-15(2,3)11-19)10-16(4,14(17)20)18-13-6-7-13/h12-13,18H,5-11H2,1-4H3,(H2,17,20)
InChIKeyXPZCVPJNDFPZFC-UHFFFAOYSA-N
XLogP1.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanamide
CID 64704169
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide
CID 115561436
2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentanamide
CID 104960286
ethyl 2-amino-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanoate
CID 64702655
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)-2-methylpentanamide
CID 65324875
methyl 4-(3,3-dimethylpiperidin-1-yl)-2-methyl-2-(propylamino)pentanoate
CID 64702654
2-methyl-2-(propan-2-ylamino)-4-pyrrolidin-1-ylpentanamide
CID 64725372
methyl 2-(cyclopropylamino)-4-(3-methoxypiperidin-1-yl)-2-methylpentanoate
CID 102966545
2-(cyclopropylamino)-2-methyl-4-(4-propan-2-ylpiperazin-1-yl)pentanoic acid
CID 64710184
2-methyl-2-(methylamino)-4-(4-methylazepan-1-yl)pentanamide
CID 64704813
4-(2,2-dimethylmorpholin-4-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64710389
2-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 64791823

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanamide (CID 64703050) is 2-(cyclopropylamino)-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanamide is CC(CC(C)(NC1CC1)C(N)=O)N1CCCC(C)(C)C1.
What is the InChIKey of 2-(cyclopropylamino)-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanamide?
The InChIKey is XPZCVPJNDFPZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12(19-9-5-8-15(2,3)11-19)10-16(4,14(17)20)18-13-6-7-13/h12-13,18H,5-11H2,1-4H3,(H2,17,20).
What are the key properties of 2-(cyclopropylamino)-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanamide?
2-(cyclopropylamino)-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanamide has a molecular weight of 281.44 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanamide is sourced from PubChem (CID 64703050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).