2-[(1S)-1-(methylamino)-2-oxo-2-piperidin-1-ylethyl]cyclopropan-1-one

C11H18N2O2 — CID 146517492

IUPAC2-[(1S)-1-(methylamino)-2-oxo-2-piperidin-1-ylethyl]cyclopropan-1-one
SMILESCN[C@H](C(=O)N1CCCCC1)C1CC1=O
InChIInChI=1S/C11H18N2O2/c1-12-10(8-7-9(8)14)11(15)13-5-3-2-4-6-13/h8,10,12H,2-7H2,1H3/t8?,10-/m0/s1
InChIKeySPCSUFDAGWLENC-HTLJXXAVSA-N
MW210.28 g/mol
LogP0.18
Rot. Bonds3

About 2-[(1S)-1-(methylamino)-2-oxo-2-piperidin-1-ylethyl]cyclopropan-1-one

2-[(1S)-1-(methylamino)-2-oxo-2-piperidin-1-ylethyl]cyclopropan-1-one (PubChem CID 146517492) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(1S)-1-(methylamino)-2-oxo-2-piperidin-1-ylethyl]cyclopropan-1-one.

Molecular Properties

Compound Name2-[(1S)-1-(methylamino)-2-oxo-2-piperidin-1-ylethyl]cyclopropan-1-one
PubChem CID146517492
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-[(1S)-1-(methylamino)-2-oxo-2-piperidin-1-ylethyl]cyclopropan-1-one
SMILESCN[C@H](C(=O)N1CCCCC1)C1CC1=O
InChIInChI=1S/C11H18N2O2/c1-12-10(8-7-9(8)14)11(15)13-5-3-2-4-6-13/h8,10,12H,2-7H2,1H3/t8?,10-/m0/s1
InChIKeySPCSUFDAGWLENC-HTLJXXAVSA-N
XLogP0.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
1-(azetidin-1-yl)-2-(methylamino)propan-1-one
CID 130546947
4-methyl-2-(methylamino)-1-piperidin-1-ylpentan-1-one
CID 110838084
(2R)-2-hydroxy-1-piperidin-1-ylpropan-1-one
CID 91806212
(2R)-1-(azocan-1-yl)-2-hydroxypropan-1-one
CID 130736139
1-(azetidin-1-yl)-2-methylpropan-1-one;2-methyl-1-piperidin-1-ylpropan-1-one;2-methyl-1-pyrrolidin-1-ylpropan-1-one
CID 163844566
methyl N-[(1S)-1-cyclopropyl-2-oxo-2-pyrrolidin-1-ylethyl]carbamate
CID 126658283
2-cyclohexyl-2-(4-methylanilino)-1-pyrrolidin-1-ylethanone
CID 175083337
methyl N-[1-(2,3-dihydro-1H-inden-2-yl)-2-oxo-2-pyrrolidin-1-ylethyl]carbamate
CID 123788721
1-(azepan-1-yl)-2-(cyclopentylamino)propan-1-one
CID 43087090
2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612
1-fluoro-N-methyl-2-oxo-2-piperidin-1-ylethanesulfonamide
CID 118531083

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(methylamino)-2-oxo-2-piperidin-1-ylethyl]cyclopropan-1-one?
The IUPAC name of 2-[(1S)-1-(methylamino)-2-oxo-2-piperidin-1-ylethyl]cyclopropan-1-one (CID 146517492) is 2-[(1S)-1-(methylamino)-2-oxo-2-piperidin-1-ylethyl]cyclopropan-1-one.
What is the SMILES notation for 2-[(1S)-1-(methylamino)-2-oxo-2-piperidin-1-ylethyl]cyclopropan-1-one?
The canonical SMILES for 2-[(1S)-1-(methylamino)-2-oxo-2-piperidin-1-ylethyl]cyclopropan-1-one is CN[C@H](C(=O)N1CCCCC1)C1CC1=O.
What is the InChIKey of 2-[(1S)-1-(methylamino)-2-oxo-2-piperidin-1-ylethyl]cyclopropan-1-one?
The InChIKey is SPCSUFDAGWLENC-HTLJXXAVSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-12-10(8-7-9(8)14)11(15)13-5-3-2-4-6-13/h8,10,12H,2-7H2,1H3/t8?,10-/m0/s1.
What are the key properties of 2-[(1S)-1-(methylamino)-2-oxo-2-piperidin-1-ylethyl]cyclopropan-1-one?
2-[(1S)-1-(methylamino)-2-oxo-2-piperidin-1-ylethyl]cyclopropan-1-one has a molecular weight of 210.28 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(methylamino)-2-oxo-2-piperidin-1-ylethyl]cyclopropan-1-one is sourced from PubChem (CID 146517492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).