1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one

C16H30N2O2 — CID 83999929

IUPAC1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(CCCO)CC(NC2CCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-2-16(20)18-11-13(6-5-9-19)10-15(12-18)17-14-7-3-4-8-14/h13-15,17,19H,2-12H2,1H3
InChIKeyPPOIUMWTSZNMQB-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.92
Rot. Bonds6

About 1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one

1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one (PubChem CID 83999929) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one
PubChem CID83999929
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(CCCO)CC(NC2CCCC2)C1
InChIInChI=1S/C16H30N2O2/c1-2-16(20)18-11-13(6-5-9-19)10-15(12-18)17-14-7-3-4-8-14/h13-15,17,19H,2-12H2,1H3
InChIKeyPPOIUMWTSZNMQB-UHFFFAOYSA-N
XLogP1.92
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]ethanone
CID 83999907
1-[3-butyl-5-(cyclopropylamino)piperidin-1-yl]propan-1-one
CID 83991653
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]butan-1-one
CID 83999243
ethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate
CID 112543863
1-[3-butyl-5-(cyclohexylamino)piperidin-1-yl]ethanone
CID 83999202
1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83999978
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]butan-1-one
CID 112541312
1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83999267
3-[5-(cyclohexylamino)-1-(2-hydroxyethyl)piperidin-3-yl]propan-1-ol
CID 83999621
1-[3-(cyclopropylamino)-5-propylpiperidin-1-yl]-3-methylbutan-1-one
CID 112541315
3-[5-(cyclohexylamino)-1-(3-methylcyclobutyl)piperidin-3-yl]propan-1-ol
CID 83999427
1-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83995101

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one (CID 83999929) is 1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one is CCC(=O)N1CC(CCCO)CC(NC2CCCC2)C1.
What is the InChIKey of 1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one?
The InChIKey is PPOIUMWTSZNMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-2-16(20)18-11-13(6-5-9-19)10-15(12-18)17-14-7-3-4-8-14/h13-15,17,19H,2-12H2,1H3.
What are the key properties of 1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one?
1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one has a molecular weight of 282.43 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopentylamino)-5-(3-hydroxypropyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 83999929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).