2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one

C13H24N2O — CID 43401265

IUPAC2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one
SMILESCC(NC(C)C1CC1)C(=O)N1CCCCC1
InChIInChI=1S/C13H24N2O/c1-10(12-6-7-12)14-11(2)13(16)15-8-4-3-5-9-15/h10-12,14H,3-9H2,1-2H3
InChIKeyPMBRSGNJRWATJB-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds4

About 2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one

2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one (PubChem CID 43401265) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one
PubChem CID43401265
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one
SMILESCC(NC(C)C1CC1)C(=O)N1CCCCC1
InChIInChI=1S/C13H24N2O/c1-10(12-6-7-12)14-11(2)13(16)15-8-4-3-5-9-15/h10-12,14H,3-9H2,1-2H3
InChIKeyPMBRSGNJRWATJB-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-cycloheptylethyl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 81391730
2-[[(1S)-1-cycloheptylethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81392361
2-[[(1S)-1-cyclopentylethyl]amino]-1-morpholin-4-ylpropan-1-one
CID 81395367
1-piperidin-1-yl-2-[(4-propan-2-ylcyclohexyl)amino]propan-1-one
CID 62707870
2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612
1-(azepan-1-yl)-2-(cyclopentylamino)propan-1-one
CID 43087090
2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43236389
2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43083625
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide
CID 54950929
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide
CID 61464466
2-(1-piperidin-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54938177
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentanecarboxamide
CID 42702289

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one (CID 43401265) is 2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one is CC(NC(C)C1CC1)C(=O)N1CCCCC1.
What is the InChIKey of 2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is PMBRSGNJRWATJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(12-6-7-12)14-11(2)13(16)15-8-4-3-5-9-15/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one?
2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 43401265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).