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

C9H18N2O — CID 94475711

IUPAC1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@H](NC)C1
InChIInChI=1S/C9H18N2O/c1-3-9(12)11-6-4-5-8(7-11)10-2/h8,10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyPOXBXYGWTMMJPU-QMMMGPOBSA-N
MW170.26 g/mol
LogP0.61
Rot. Bonds2

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

1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one (PubChem CID 94475711) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
PubChem CID94475711
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@H](NC)C1
InChIInChI=1S/C9H18N2O/c1-3-9(12)11-6-4-5-8(7-11)10-2/h8,10H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyPOXBXYGWTMMJPU-QMMMGPOBSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 58168404
1-[3-(cyclopentylmethylamino)piperidin-1-yl]propan-1-one
CID 83997840
2-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260330
2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119488548
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490768
2-butoxy-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 119489315
N,N-diethyl-2-[3-(methylamino)piperidin-1-yl]-2-oxoethanesulfonamide
CID 119493899
(3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 172646385
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
3-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119260323
2-tert-butylsulfanyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119493378

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one (CID 94475711) is 1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@H](NC)C1.
What is the InChIKey of 1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one?
The InChIKey is POXBXYGWTMMJPU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-9(12)11-6-4-5-8(7-11)10-2/h8,10H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of 1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one?
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one has a molecular weight of 170.26 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 94475711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).