3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one

C14H27N3O — CID 119919554

IUPAC3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one
SMILESCNC1CCCN(C2CCCN(C(C)C)C2=O)C1
InChIInChI=1S/C14H27N3O/c1-11(2)17-9-5-7-13(14(17)18)16-8-4-6-12(10-16)15-3/h11-13,15H,4-10H2,1-3H3
InChIKeyQPESRKYMNLMHKL-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds3

About 3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one

3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one (PubChem CID 119919554) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one
PubChem CID119919554
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one
SMILESCNC1CCCN(C2CCCN(C(C)C)C2=O)C1
InChIInChI=1S/C14H27N3O/c1-11(2)17-9-5-7-13(14(17)18)16-8-4-6-12(10-16)15-3/h11-13,15H,4-10H2,1-3H3
InChIKeyQPESRKYMNLMHKL-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(methylamino)-1-propan-2-ylazepan-2-one
CID 22984869
(3S)-3-[4-(2-methylpropyl)piperazin-1-yl]-1-propan-2-ylpiperidin-2-one
CID 97319544
3-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-1-propan-2-ylpiperidin-2-one
CID 167894823
3-[3-(methylamino)piperidin-1-yl]-1-(oxan-4-yl)pyrrolidin-2-one;hydrochloride
CID 119919883
3-(4-amino-3,3-dimethylpiperidin-1-yl)-1-propan-2-ylpiperidin-2-one;hydrochloride
CID 120775440
3-[3-(methylamino)piperidin-1-yl]-1-(1-methylpyrazol-3-yl)piperidin-2-one;dihydrochloride
CID 119920464
(3S)-3-methyl-1-propan-2-ylpiperidin-2-one
CID 129101270
1-(2-fluoro-5-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]piperidin-2-one
CID 119919252
N-tert-butyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)piperazin-1-yl]acetamide
CID 75468309
tert-butyl 1-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperidine-4-carboxylate
CID 97220887
1-[4-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]piperazine-1-carbonyl]cyclobutane-1-carbonitrile
CID 97342797
(3S)-3-bromo-1-propan-2-ylpiperidin-2-one
CID 95354937

Frequently Asked Questions

What is the IUPAC name of 3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one?
The IUPAC name of 3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one (CID 119919554) is 3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for 3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one is CNC1CCCN(C2CCCN(C(C)C)C2=O)C1.
What is the InChIKey of 3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one?
The InChIKey is QPESRKYMNLMHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(2)17-9-5-7-13(14(17)18)16-8-4-6-12(10-16)15-3/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one?
3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one has a molecular weight of 253.39 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(methylamino)piperidin-1-yl]-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 119919554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).