3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one

C13H24N2O — CID 60843505

IUPAC3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCCCN1C(=O)CCNC1CC1
InChIInChI=1S/C13H24N2O/c1-2-12-5-3-4-10-15(12)13(16)8-9-14-11-6-7-11/h11-12,14H,2-10H2,1H3
InChIKeyFOGWLPKAIOSAMA-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.92
Rot. Bonds5

About 3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one

3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one (PubChem CID 60843505) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one
PubChem CID60843505
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCCCN1C(=O)CCNC1CC1
InChIInChI=1S/C13H24N2O/c1-2-12-5-3-4-10-15(12)13(16)8-9-14-11-6-7-11/h11-12,14H,2-10H2,1H3
InChIKeyFOGWLPKAIOSAMA-UHFFFAOYSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[3-(cyclopropylamino)propanoyl]piperidin-2-yl]propanoic acid
CID 62216026
1-(2-ethylpiperidin-1-yl)pentan-1-one
CID 3041221
tert-butyl N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 127108331
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
1-(2-ethylpyrrolidin-1-yl)-3-(propan-2-ylamino)propan-1-one
CID 60974351
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
2-(ethylamino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 60686637
4-(2-ethylazepan-1-yl)-4-oxobutanoic acid
CID 115910484
1-(2-ethylazepan-1-yl)-3-methoxypropan-1-one
CID 167776443
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-(2-ethylpiperidin-1-yl)ethanone
CID 119926286
1-(2-ethylpyrrolidin-1-yl)butan-1-one
CID 63083979
6-(2-ethylpiperidin-1-yl)-6-oxohexanoic acid
CID 43447225

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one (CID 60843505) is 3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one is CCC1CCCCN1C(=O)CCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one?
The InChIKey is FOGWLPKAIOSAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-12-5-3-4-10-15(12)13(16)8-9-14-11-6-7-11/h11-12,14H,2-10H2,1H3.
What are the key properties of 3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one?
3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-1-(2-ethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 60843505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).