methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate

C17H32N2O2 — CID 83999844

IUPACmethyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CC(CC(C)(C)C)CC(NC2CCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)10-13-9-15(18-14-7-5-6-8-14)12-19(11-13)16(20)21-4/h13-15,18H,5-12H2,1-4H3
InChIKeyNVPFOHNBJRXGNS-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.41
Rot. Bonds3

About methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate

methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate (PubChem CID 83999844) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate
PubChem CID83999844
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Namemethyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CC(CC(C)(C)C)CC(NC2CCCC2)C1
InChIInChI=1S/C17H32N2O2/c1-17(2,3)10-13-9-15(18-14-7-5-6-8-14)12-19(11-13)16(20)21-4/h13-15,18H,5-12H2,1-4H3
InChIKeyNVPFOHNBJRXGNS-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2,2-dimethylpropyl)-5-(3-methylbutylamino)piperidine-1-carboxylate
CID 83995695
ethyl 3-(cyclopentylamino)-5-(cyclopropylmethyl)piperidine-1-carboxylate
CID 83999858
3-(cyclopentylamino)-5-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 83999887
1-[3-(cyclohexylamino)-5-propylpiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 83999267
methyl 3-[1-acetyl-5-(cyclopentylamino)piperidin-3-yl]propanoate
CID 83999906
1-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]ethanone
CID 83997130
methyl 3-(cyclopentylmethylamino)-5-propylpiperidine-1-carboxylate
CID 83997765
3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxamide
CID 83997104
methyl 3-(cyclopropylmethyl)-5-(2,2-dimethylpropanoylamino)piperidine-1-carboxylate
CID 112542210
methyl 3-[1-carbamoyl-5-(cyclohexylamino)piperidin-3-yl]propanoate
CID 83999189
1-[3-(2,2-dimethylpropyl)-5-(methylamino)piperidin-1-yl]ethanone
CID 83989732
tert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate
CID 53484509

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate?
The IUPAC name of methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate (CID 83999844) is methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate is COC(=O)N1CC(CC(C)(C)C)CC(NC2CCCC2)C1.
What is the InChIKey of methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate?
The InChIKey is NVPFOHNBJRXGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-17(2,3)10-13-9-15(18-14-7-5-6-8-14)12-19(11-13)16(20)21-4/h13-15,18H,5-12H2,1-4H3.
What are the key properties of methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate?
methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopentylamino)-5-(2,2-dimethylpropyl)piperidine-1-carboxylate is sourced from PubChem (CID 83999844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).