methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate

C17H32N2O2 — CID 83997694

IUPACmethyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CC(NCC2CCCC2)CN(CC(C)C)C1
InChIInChI=1S/C17H32N2O2/c1-13(2)10-19-11-15(17(20)21-3)8-16(12-19)18-9-14-6-4-5-7-14/h13-16,18H,4-12H2,1-3H3
InChIKeyALYCBQIZMKWYNO-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.29
Rot. Bonds6

About methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate

methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate (PubChem CID 83997694) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
PubChem CID83997694
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Namemethyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
SMILESCOC(=O)C1CC(NCC2CCCC2)CN(CC(C)C)C1
InChIInChI=1S/C17H32N2O2/c1-13(2)10-19-11-15(17(20)21-3)8-16(12-19)18-9-14-6-4-5-7-14/h13-16,18H,4-12H2,1-3H3
InChIKeyALYCBQIZMKWYNO-UHFFFAOYSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(2,2-dimethylpropylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83994928
N-(cyclopentylmethyl)-5-methyl-1-(2-methylpropyl)piperidin-3-amine
CID 83997686
N-(cyclopentylmethyl)-5-(cyclopropylmethyl)-1-(2-methylpropyl)piperidin-3-amine
CID 83997691
1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
CID 83997701
N-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine
CID 83996998
1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol
CID 83998394
5-(cyclohexylamino)-1-(2-methylpropyl)piperidine-3-carboxylic acid
CID 83999077
methyl 1-(2-aminoethyl)-5-(2-methylpropylamino)piperidine-3-carboxylate
CID 83994797
methyl 5-(2-methylpropylamino)-1-propanoylpiperidine-3-carboxylate
CID 83994391
5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidine-3-carboxylic acid
CID 83998065
methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate
CID 112543460
2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid
CID 83998151

Frequently Asked Questions

What is the IUPAC name of methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate?
The IUPAC name of methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate (CID 83997694) is methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate.
What is the SMILES notation for methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate?
The canonical SMILES for methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate is COC(=O)C1CC(NCC2CCCC2)CN(CC(C)C)C1.
What is the InChIKey of methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate?
The InChIKey is ALYCBQIZMKWYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13(2)10-19-11-15(17(20)21-3)8-16(12-19)18-9-14-6-4-5-7-14/h13-16,18H,4-12H2,1-3H3.
What are the key properties of methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate?
methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate is sourced from PubChem (CID 83997694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).