tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate

C16H31N3O2 — CID 86794453

IUPACtert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate
SMILESCN1CCC(NC2CCCC2NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)18-14-7-5-6-13(14)17-12-8-10-19(4)11-9-12/h12-14,17H,5-11H2,1-4H3,(H,18,20)
InChIKeyMTROPHONBWNQGK-UHFFFAOYSA-N
MW297.44 g/mol
LogP2.12
Rot. Bonds3

About tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate

tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate (PubChem CID 86794453) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate
PubChem CID86794453
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Nametert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate
SMILESCN1CCC(NC2CCCC2NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)18-14-7-5-6-13(14)17-12-8-10-19(4)11-9-12/h12-14,17H,5-11H2,1-4H3,(H,18,20)
InChIKeyMTROPHONBWNQGK-UHFFFAOYSA-N
XLogP2.12
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949
tert-butyl N-[2-[(1-methylpiperidin-3-yl)amino]cycloheptyl]carbamate
CID 103082525
tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
CID 142994161
tert-butyl N-[2-[(4-ethylcycloheptyl)amino]cyclopentyl]carbamate
CID 107243613
tert-butyl N-[2-[(2,6-dimethylcyclohexyl)amino]cyclopentyl]carbamate
CID 107243716
tert-butyl N-[2-(pyrrolidin-3-ylamino)cycloheptyl]carbamate
CID 107244169
tert-butyl N-[2-(azepan-4-ylamino)cycloheptyl]carbamate
CID 107244081
tert-butyl N-[2-[(3-ethoxycyclobutyl)amino]cyclopentyl]carbamate
CID 102613921
tert-butyl 2-methyl-3-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
CID 104955727
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
benzyl 4-[[(1S,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]piperidine-1-carboxylate
CID 146034151
tert-butyl N-[2-[(4-propan-2-ylcycloheptyl)amino]cyclopropyl]carbamate
CID 107237703

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate (CID 86794453) is tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate is CN1CCC(NC2CCCC2NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate?
The InChIKey is MTROPHONBWNQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)18-14-7-5-6-13(14)17-12-8-10-19(4)11-9-12/h12-14,17H,5-11H2,1-4H3,(H,18,20).
What are the key properties of tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate?
tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate has a molecular weight of 297.44 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(1-methylpiperidin-4-yl)amino]cyclopentyl]carbamate is sourced from PubChem (CID 86794453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).