1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one

C18H34N2O — CID 83997903

IUPAC1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCCCC1CC(NCC2CCCC2)CN(C(=O)C(C)C)C1
InChIInChI=1S/C18H34N2O/c1-4-7-16-10-17(19-11-15-8-5-6-9-15)13-20(12-16)18(21)14(2)3/h14-17,19H,4-13H2,1-3H3
InChIKeyYXKHJCMOYQASBI-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.44
Rot. Bonds6

About 1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one

1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one (PubChem CID 83997903) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
PubChem CID83997903
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
SMILESCCCC1CC(NCC2CCCC2)CN(C(=O)C(C)C)C1
InChIInChI=1S/C18H34N2O/c1-4-7-16-10-17(19-11-15-8-5-6-9-15)13-20(12-16)18(21)14(2)3/h14-17,19H,4-13H2,1-3H3
InChIKeyYXKHJCMOYQASBI-UHFFFAOYSA-N
XLogP3.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83996520
methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate
CID 83997765
1-[3-(ethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83990429
1-[3-(cyclopentylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83999978
3-(cyclobutylmethylamino)-5-propylpiperidine-1-carboxamide
CID 83997100
1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone
CID 83997819
1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 83998592
1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83993753
N-(cyclohexylmethyl)-1-ethyl-5-propylpiperidin-3-amine
CID 83998322
3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid
CID 83998522
methyl N-[5-butyl-1-(2-methylpropanoyl)piperidin-3-yl]carbamate
CID 112543268
N-(cyclopentylmethyl)-1-(1-cyclopropylpropyl)-5-propylpiperidin-3-amine
CID 83998092

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one (CID 83997903) is 1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one is CCCC1CC(NCC2CCCC2)CN(C(=O)C(C)C)C1.
What is the InChIKey of 1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is YXKHJCMOYQASBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-4-7-16-10-17(19-11-15-8-5-6-9-15)13-20(12-16)18(21)14(2)3/h14-17,19H,4-13H2,1-3H3.
What are the key properties of 1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one?
1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 294.48 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 83997903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).