methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate

C13H24N2O2 — CID 83997762

IUPACmethyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(NCC2CCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-17-13(16)15-8-4-7-12(10-15)14-9-11-5-2-3-6-11/h11-12,14H,2-10H2,1H3
InChIKeyMJQRUAQGPFRZFO-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.00
Rot. Bonds3

About methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate

methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate (PubChem CID 83997762) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate
PubChem CID83997762
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Namemethyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate
SMILESCOC(=O)N1CCCC(NCC2CCCC2)C1
InChIInChI=1S/C13H24N2O2/c1-17-13(16)15-8-4-7-12(10-15)14-9-11-5-2-3-6-11/h11-12,14H,2-10H2,1H3
InChIKeyMJQRUAQGPFRZFO-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(cyclopentylmethylamino)piperidin-1-yl]propan-1-one
CID 83997840
1-[3-(cyclohexylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 83998592
1-[3-(cyclopentylmethylamino)pyrrolidin-1-yl]ethanone
CID 115908114
methyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 20598102
methyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 121340788
tert-butyl 3-(cycloheptylmethylamino)pyrrolidine-1-carboxylate
CID 107239420
methyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
CID 83998161
methyl 3-(iodomethyl)piperidine-1-carboxylate
CID 143863584
tert-butyl (3S)-3-[(cyclobutylamino)methyl]piperidine-1-carboxylate
CID 96995948
methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate
CID 83997765
tert-butyl (3S)-3-(oxan-4-ylmethylamino)piperidine-1-carboxylate
CID 84592299
methyl 3-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 63241337

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate (CID 83997762) is methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate is COC(=O)N1CCCC(NCC2CCCC2)C1.
What is the InChIKey of methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate?
The InChIKey is MJQRUAQGPFRZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-17-13(16)15-8-4-7-12(10-15)14-9-11-5-2-3-6-11/h11-12,14H,2-10H2,1H3.
What are the key properties of methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate?
methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopentylmethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 83997762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).