1-(3-aminopiperidin-1-yl)-2-(3-methylcyclopentyl)ethanone

C13H24N2O — CID 119380103

IUPAC1-(3-aminopiperidin-1-yl)-2-(3-methylcyclopentyl)ethanone
SMILESCC1CCC(CC(=O)N2CCCC(N)C2)C1
InChIInChI=1S/C13H24N2O/c1-10-4-5-11(7-10)8-13(16)15-6-2-3-12(14)9-15/h10-12H,2-9,14H2,1H3
InChIKeyLAMCAGDCKGEHKE-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.76
Rot. Bonds2

About 1-(3-aminopiperidin-1-yl)-2-(3-methylcyclopentyl)ethanone

1-(3-aminopiperidin-1-yl)-2-(3-methylcyclopentyl)ethanone (PubChem CID 119380103) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-(3-methylcyclopentyl)ethanone.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-(3-methylcyclopentyl)ethanone
PubChem CID119380103
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(3-aminopiperidin-1-yl)-2-(3-methylcyclopentyl)ethanone
SMILESCC1CCC(CC(=O)N2CCCC(N)C2)C1
InChIInChI=1S/C13H24N2O/c1-10-4-5-11(7-10)8-13(16)15-6-2-3-12(14)9-15/h10-12H,2-9,14H2,1H3
InChIKeyLAMCAGDCKGEHKE-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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-[2-(3-methylcyclohexyl)acetyl]piperidine-3-carboxylic acid
CID 119167914
(3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone
CID 81458507
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3-methylcyclopentyl)ethanone;hydrochloride
CID 119519416
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 102978450
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202
2-(1-methylpiperidin-4-yl)-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 95969531
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 79607325
1-(3-aminopiperidin-1-yl)-2-(oxolan-2-yl)ethanone
CID 65160580
1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 115277222
1-[3-(methylamino)piperidin-1-yl]-2-(3,3,5-trimethylcyclohexyl)ethanone;hydrochloride
CID 119493806
1-(3-aminopiperidin-1-yl)-2-propoxyethanone;hydrochloride
CID 119378739
1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
CID 61297208

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(3-methylcyclopentyl)ethanone?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-(3-methylcyclopentyl)ethanone (CID 119380103) is 1-(3-aminopiperidin-1-yl)-2-(3-methylcyclopentyl)ethanone.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-(3-methylcyclopentyl)ethanone?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-(3-methylcyclopentyl)ethanone is CC1CCC(CC(=O)N2CCCC(N)C2)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-(3-methylcyclopentyl)ethanone?
The InChIKey is LAMCAGDCKGEHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10-4-5-11(7-10)8-13(16)15-6-2-3-12(14)9-15/h10-12H,2-9,14H2,1H3.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-(3-methylcyclopentyl)ethanone?
1-(3-aminopiperidin-1-yl)-2-(3-methylcyclopentyl)ethanone has a molecular weight of 224.35 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-(3-methylcyclopentyl)ethanone is sourced from PubChem (CID 119380103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).