(1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone

C13H24N2O — CID 119807799

IUPAC(1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone
SMILESCC(C)CC1CCCN(C(=O)C2(N)CC2)C1
InChIInChI=1S/C13H24N2O/c1-10(2)8-11-4-3-7-15(9-11)12(16)13(14)5-6-13/h10-11H,3-9,14H2,1-2H3
InChIKeyABSZYAOEIFKNFY-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.76
Rot. Bonds3

About (1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone

(1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone (PubChem CID 119807799) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone
PubChem CID119807799
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone
SMILESCC(C)CC1CCCN(C(=O)C2(N)CC2)C1
InChIInChI=1S/C13H24N2O/c1-10(2)8-11-4-3-7-15(9-11)12(16)13(14)5-6-13/h10-11H,3-9,14H2,1-2H3
InChIKeyABSZYAOEIFKNFY-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-aminocyclopropyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781887
(1-aminocyclopropyl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 89395545
2-[1-(1-aminocyclopropanecarbonyl)piperidin-3-yl]acetic acid
CID 65466458
(1-aminocyclobutyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586736
N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide
CID 119301801
(1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875759
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride
CID 119807830
(3-aminocyclohexyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 119807817
(1-aminocyclopentyl)-[3-[(2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 119867647
(1-aminocyclopropyl)-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methanone
CID 59084329
3-[1-(1-aminocyclopentanecarbonyl)piperidin-3-yl]butanoic acid
CID 81046430
1-(1-aminocyclopropanecarbonyl)-N-methylpiperidine-3-carboxamide
CID 103811036

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone?
The IUPAC name of (1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone (CID 119807799) is (1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone is CC(C)CC1CCCN(C(=O)C2(N)CC2)C1.
What is the InChIKey of (1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone?
The InChIKey is ABSZYAOEIFKNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(2)8-11-4-3-7-15(9-11)12(16)13(14)5-6-13/h10-11H,3-9,14H2,1-2H3.
What are the key properties of (1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone?
(1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone has a molecular weight of 224.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119807799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).