methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate

C16H30N2O2 — CID 83997765

IUPACmethyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate
SMILESCCCC1CC(NCC2CCCC2)CN(C(=O)OC)C1
InChIInChI=1S/C16H30N2O2/c1-3-6-14-9-15(12-18(11-14)16(19)20-2)17-10-13-7-4-5-8-13/h13-15,17H,3-12H2,1-2H3
InChIKeyINYNBBZNKFDWSD-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.02
Rot. Bonds5

About methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate

methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate (PubChem CID 83997765) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate
PubChem CID83997765
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Namemethyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate
SMILESCCCC1CC(NCC2CCCC2)CN(C(=O)OC)C1
InChIInChI=1S/C16H30N2O2/c1-3-6-14-9-15(12-18(11-14)16(19)20-2)17-10-13-7-4-5-8-13/h13-15,17H,3-12H2,1-2H3
InChIKeyINYNBBZNKFDWSD-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(cyclopentylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83997903
3-(cyclobutylmethylamino)-5-propylpiperidine-1-carboxamide
CID 83997100
1-[3-butyl-5-(cyclopentylmethylamino)piperidin-1-yl]ethanone
CID 83997819
1-[3-(cyclopropylmethylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83996520
methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate
CID 83997762
N-(cyclohexylmethyl)-1-ethyl-5-propylpiperidin-3-amine
CID 83998322
3-[1-acetyl-5-(cyclohexylmethylamino)piperidin-3-yl]propanoic acid
CID 83998522
methyl 3-butyl-5-(2,2-difluoroethylamino)piperidine-1-carboxylate
CID 83992924
methyl 2-[5-(cyclohexylmethylamino)-1-propanoylpiperidin-3-yl]acetate
CID 83998544
3-[5-(cyclopentylmethylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 83997675
1-butanoyl-5-(cyclohexylmethylamino)piperidine-3-carboxylic acid
CID 83998555
N-(cyclopentylmethyl)-1-(1-cyclopropylpropyl)-5-propylpiperidin-3-amine
CID 83998092

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate?
The IUPAC name of methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate (CID 83997765) is methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate?
The canonical SMILES for methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate is CCCC1CC(NCC2CCCC2)CN(C(=O)OC)C1.
What is the InChIKey of methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate?
The InChIKey is INYNBBZNKFDWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-3-6-14-9-15(12-18(11-14)16(19)20-2)17-10-13-7-4-5-8-13/h13-15,17H,3-12H2,1-2H3.
What are the key properties of methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate?
methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate is sourced from PubChem (CID 83997765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).