1-[3-[2-(1-acetylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one

C17H30N2O2 — CID 91567205

IUPAC1-[3-[2-(1-acetylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(CCC2CCCN(C(C)=O)C2)C1
InChIInChI=1S/C17H30N2O2/c1-3-17(21)19-11-5-7-16(13-19)9-8-15-6-4-10-18(12-15)14(2)20/h15-16H,3-13H2,1-2H3
InChIKeyOGPIXRPVDAOGGW-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.67
Rot. Bonds4

About 1-[3-[2-(1-acetylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one

1-[3-[2-(1-acetylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one (PubChem CID 91567205) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[3-[2-(1-acetylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[2-(1-acetylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one
PubChem CID91567205
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-[3-[2-(1-acetylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC(CCC2CCCN(C(C)=O)C2)C1
InChIInChI=1S/C17H30N2O2/c1-3-17(21)19-11-5-7-16(13-19)9-8-15-6-4-10-18(12-15)14(2)20/h15-16H,3-13H2,1-2H3
InChIKeyOGPIXRPVDAOGGW-UHFFFAOYSA-N
XLogP2.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-[2-(1-acetylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241729
1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 59751401
1-[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 95136879
1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 90392056
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
2-ethoxy-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 62372171
1-[3-(cyclopentylmethylamino)piperidin-1-yl]propan-1-one
CID 83997840
3-propylpiperidine-1-carboxamide
CID 18466872
1-(3-tert-butylpiperidin-1-yl)propan-1-one
CID 59751403
2-[2-oxo-2-(3-propylpiperidin-1-yl)ethyl]sulfanylacetic acid
CID 120550851
1-[3-(2-chloroethyl)pyrrolidin-1-yl]ethanone
CID 114801099
1-[3-(trifluoromethyl)piperidin-1-yl]propan-1-one
CID 60655671

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(1-acetylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[2-(1-acetylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one (CID 91567205) is 1-[3-[2-(1-acetylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[2-(1-acetylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[2-(1-acetylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCCC(CCC2CCCN(C(C)=O)C2)C1.
What is the InChIKey of 1-[3-[2-(1-acetylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one?
The InChIKey is OGPIXRPVDAOGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-17(21)19-11-5-7-16(13-19)9-8-15-6-4-10-18(12-15)14(2)20/h15-16H,3-13H2,1-2H3.
What are the key properties of 1-[3-[2-(1-acetylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one?
1-[3-[2-(1-acetylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one has a molecular weight of 294.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(1-acetylpiperidin-3-yl)ethyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 91567205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).