1-[3-(cyclopentylmethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one

C17H32N2O2 — CID 83997868

IUPAC1-[3-(cyclopentylmethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(NCC2CCCC2)CC(C(C)O)C1
InChIInChI=1S/C17H32N2O2/c1-3-6-17(21)19-11-15(13(2)20)9-16(12-19)18-10-14-7-4-5-8-14/h13-16,18,20H,3-12H2,1-2H3
InChIKeyIXNVPNZVCNSGME-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.16
Rot. Bonds6

About 1-[3-(cyclopentylmethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one

1-[3-(cyclopentylmethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one (PubChem CID 83997868) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-[3-(cyclopentylmethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-(cyclopentylmethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one
PubChem CID83997868
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-[3-(cyclopentylmethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(NCC2CCCC2)CC(C(C)O)C1
InChIInChI=1S/C17H32N2O2/c1-3-6-17(21)19-11-15(13(2)20)9-16(12-19)18-10-14-7-4-5-8-14/h13-16,18,20H,3-12H2,1-2H3
InChIKeyIXNVPNZVCNSGME-UHFFFAOYSA-N
XLogP2.16
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-butanoyl-5-(cyclohexylmethylamino)piperidine-3-carboxylic acid
CID 83998555
1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 83993718
1-[5-(cyclopentylmethylamino)-1-methylpiperidin-3-yl]ethanol
CID 83997610
3-(cyclopentylmethylamino)-5-(1-hydroxypropyl)piperidine-1-carboxamide
CID 83997808
1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83997903
1-[3-(2-hydroxyethylamino)-5-(1-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 112541586
1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol
CID 83996635
2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid
CID 83998151
N-[5-(1-hydroxyethyl)-1-propanoylpiperidin-3-yl]-2-methylpropanamide
CID 112542715
1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
CID 83997701
methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate
CID 83997765
1-[3-(1-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]-3-methylbutan-1-one
CID 83992339

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopentylmethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-(cyclopentylmethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one (CID 83997868) is 1-[3-(cyclopentylmethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-(cyclopentylmethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-(cyclopentylmethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CC(NCC2CCCC2)CC(C(C)O)C1.
What is the InChIKey of 1-[3-(cyclopentylmethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one?
The InChIKey is IXNVPNZVCNSGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-3-6-17(21)19-11-15(13(2)20)9-16(12-19)18-10-14-7-4-5-8-14/h13-16,18,20H,3-12H2,1-2H3.
What are the key properties of 1-[3-(cyclopentylmethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one?
1-[3-(cyclopentylmethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one has a molecular weight of 296.45 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopentylmethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 83997868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).