3-(3-aminopropyl)-6-methylpiperidin-2-one

C9H18N2O — CID 170552046

IUPAC3-(3-aminopropyl)-6-methylpiperidin-2-one
SMILESCC1CCC(CCCN)C(=O)N1
InChIInChI=1S/C9H18N2O/c1-7-4-5-8(3-2-6-10)9(12)11-7/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyAJACERZRKYMIKZ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.64
Rot. Bonds3

About 3-(3-aminopropyl)-6-methylpiperidin-2-one

3-(3-aminopropyl)-6-methylpiperidin-2-one (PubChem CID 170552046) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-(3-aminopropyl)-6-methylpiperidin-2-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-6-methylpiperidin-2-one
PubChem CID170552046
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-(3-aminopropyl)-6-methylpiperidin-2-one
SMILESCC1CCC(CCCN)C(=O)N1
InChIInChI=1S/C9H18N2O/c1-7-4-5-8(3-2-6-10)9(12)11-7/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyAJACERZRKYMIKZ-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,6R)-3-ethyl-6-methylpiperidin-2-one
CID 122155636
(3S,6S)-3-hydroxy-6-methylpiperidin-2-one
CID 55287608
4-(3-aminopropyl)-3-tert-butyl-1,4-dihydropyrazol-5-one
CID 63972440
(3S,6R,9S,12R)-3,9-bis(4-aminobutyl)-6,12-dimethyl-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 102389498
(3S,6S)-3,6-bis(4-aminobutyl)piperazine-2,5-dione;dihydrochloride
CID 175673132
(3R,4aS,6R,8aS)-3-(aminomethyl)-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
CID 52908076
3-(aminomethyl)-6-methyl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinolin-2-one
CID 54595436
(3R,5S)-5-methyl-3-prop-2-enylpyrrolidin-2-one
CID 55300790
3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione
CID 147838598
4-(3-aminopropyl)-3-propan-2-yl-1,4-dihydropyrazol-5-one
CID 63972441
4-(3-aminopropyl)piperidine-2,6-dione
CID 55254215
(2S)-2-methyl-3-[(3R,5R)-5-methyl-2-oxopyrrolidin-3-yl]propanal
CID 175610759

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-6-methylpiperidin-2-one?
The IUPAC name of 3-(3-aminopropyl)-6-methylpiperidin-2-one (CID 170552046) is 3-(3-aminopropyl)-6-methylpiperidin-2-one.
What is the SMILES notation for 3-(3-aminopropyl)-6-methylpiperidin-2-one?
The canonical SMILES for 3-(3-aminopropyl)-6-methylpiperidin-2-one is CC1CCC(CCCN)C(=O)N1.
What is the InChIKey of 3-(3-aminopropyl)-6-methylpiperidin-2-one?
The InChIKey is AJACERZRKYMIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7-4-5-8(3-2-6-10)9(12)11-7/h7-8H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 3-(3-aminopropyl)-6-methylpiperidin-2-one?
3-(3-aminopropyl)-6-methylpiperidin-2-one has a molecular weight of 170.26 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-6-methylpiperidin-2-one is sourced from PubChem (CID 170552046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).