tert-butyl 4-[(3-methylcyclopentyl)amino]piperidine-1-carboxylate

C16H30N2O2 — CID 115653281

IUPACtert-butyl 4-[(3-methylcyclopentyl)amino]piperidine-1-carboxylate
SMILESCC1CCC(NC2CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C16H30N2O2/c1-12-5-6-14(11-12)17-13-7-9-18(10-8-13)15(19)20-16(2,3)4/h12-14,17H,5-11H2,1-4H3
InChIKeySSXVBGWHRWTKEO-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.16
Rot. Bonds2

About tert-butyl 4-[(3-methylcyclopentyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(3-methylcyclopentyl)amino]piperidine-1-carboxylate (PubChem CID 115653281) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl 4-[(3-methylcyclopentyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-methylcyclopentyl)amino]piperidine-1-carboxylate
PubChem CID115653281
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl 4-[(3-methylcyclopentyl)amino]piperidine-1-carboxylate
SMILESCC1CCC(NC2CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C16H30N2O2/c1-12-5-6-14(11-12)17-13-7-9-18(10-8-13)15(19)20-16(2,3)4/h12-14,17H,5-11H2,1-4H3
InChIKeySSXVBGWHRWTKEO-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(3,5-dimethylcyclohexyl)amino]azepane-1-carboxylate
CID 103982271
tert-butyl 3-[(3-methylcyclobutyl)amino]pyrrolidine-1-carboxylate
CID 115735709
tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
CID 43652189
tert-butyl 3-[(3-methylcyclopentyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103700806
tert-butyl 4-[(3-hydroxycyclohexyl)amino]azepane-1-carboxylate
CID 103981515
tert-butyl 4-[(4-hydroxycyclohexyl)amino]azepane-1-carboxylate
CID 103980484
tert-butyl 4-[(4-aminocyclohexyl)amino]azepane-1-carboxylate
CID 103982002
tert-butyl 4-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241648
tert-butyl (4S)-4-(cyclopent-3-en-1-ylamino)azepane-1-carboxylate
CID 99718887
tert-butyl 3-[(3-methylcyclobutyl)amino]azepane-1-carboxylate
CID 104859796
tert-butyl 4-[(1-ethylpiperidin-4-yl)amino]azepane-1-carboxylate
CID 103981745
tert-butyl (3S)-3-(thian-4-ylamino)pyrrolidine-1-carboxylate
CID 86609366

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-methylcyclopentyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-methylcyclopentyl)amino]piperidine-1-carboxylate (CID 115653281) is tert-butyl 4-[(3-methylcyclopentyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-methylcyclopentyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-methylcyclopentyl)amino]piperidine-1-carboxylate is CC1CCC(NC2CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl 4-[(3-methylcyclopentyl)amino]piperidine-1-carboxylate?
The InChIKey is SSXVBGWHRWTKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-5-6-14(11-12)17-13-7-9-18(10-8-13)15(19)20-16(2,3)4/h12-14,17H,5-11H2,1-4H3.
What are the key properties of tert-butyl 4-[(3-methylcyclopentyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(3-methylcyclopentyl)amino]piperidine-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-methylcyclopentyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 115653281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).