tert-butyl 3-(5-propan-2-yl-1H-imidazol-2-yl)piperidine-1-carboxylate

C16H27N3O2 — CID 134789944

IUPACtert-butyl 3-(5-propan-2-yl-1H-imidazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)c1cnc(C2CCCN(C(=O)OC(C)(C)C)C2)[nH]1
InChIInChI=1S/C16H27N3O2/c1-11(2)13-9-17-14(18-13)12-7-6-8-19(10-12)15(20)21-16(3,4)5/h9,11-12H,6-8,10H2,1-5H3,(H,17,18)
InChIKeyNPHJJYYVVKYBDC-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.65
Rot. Bonds2

About tert-butyl 3-(5-propan-2-yl-1H-imidazol-2-yl)piperidine-1-carboxylate

tert-butyl 3-(5-propan-2-yl-1H-imidazol-2-yl)piperidine-1-carboxylate (PubChem CID 134789944) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is tert-butyl 3-(5-propan-2-yl-1H-imidazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-propan-2-yl-1H-imidazol-2-yl)piperidine-1-carboxylate
PubChem CID134789944
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Nametert-butyl 3-(5-propan-2-yl-1H-imidazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)c1cnc(C2CCCN(C(=O)OC(C)(C)C)C2)[nH]1
InChIInChI=1S/C16H27N3O2/c1-11(2)13-9-17-14(18-13)12-7-6-8-19(10-12)15(20)21-16(3,4)5/h9,11-12H,6-8,10H2,1-5H3,(H,17,18)
InChIKeyNPHJJYYVVKYBDC-UHFFFAOYSA-N
XLogP3.65
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(2-(2-amino-1H-imidazol-5-yl)ethyl)carbamate
CID 573085
3-N,3-N-diethyl-1-N-[2-(1H-imidazol-5-yl)ethyl]piperidine-1,3-dicarboxamide
CID 172436989
tert-butyl 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperidine-1-carboxylate
CID 134789102
tert-Butyl 4-(4-methyl-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 67434961
tert-butyl 4-(4-ethyl-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 117867392
tert-butyl 4-(4-isopropyl-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 117867557
tert-butyl N-[2-(1H-imidazol-5-yl)ethyl]carbamate
CID 402562
tert-Butyl 4-(1H-imidazol-4-yl)piperidine-1-carboxylate
CID 15233293
tert-butyl 3-{5H,6H,7H,8H-imidazo[1,2-a]pyrimidin-2-yl}azetidine-1-carboxylate
CID 155973022
(5R)-9-[(2-butyl-1H-imidazol-5-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95869327
ethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]amino]piperidine-1-carboxylate
CID 125518090
tert-butyl N-[(3S)-1-[2-(3-methylimidazol-4-yl)ethyl]piperidin-3-yl]carbamate
CID 164642124

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-propan-2-yl-1H-imidazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(5-propan-2-yl-1H-imidazol-2-yl)piperidine-1-carboxylate (CID 134789944) is tert-butyl 3-(5-propan-2-yl-1H-imidazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-propan-2-yl-1H-imidazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(5-propan-2-yl-1H-imidazol-2-yl)piperidine-1-carboxylate is CC(C)c1cnc(C2CCCN(C(=O)OC(C)(C)C)C2)[nH]1.
What is the InChIKey of tert-butyl 3-(5-propan-2-yl-1H-imidazol-2-yl)piperidine-1-carboxylate?
The InChIKey is NPHJJYYVVKYBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(2)13-9-17-14(18-13)12-7-6-8-19(10-12)15(20)21-16(3,4)5/h9,11-12H,6-8,10H2,1-5H3,(H,17,18).
What are the key properties of tert-butyl 3-(5-propan-2-yl-1H-imidazol-2-yl)piperidine-1-carboxylate?
tert-butyl 3-(5-propan-2-yl-1H-imidazol-2-yl)piperidine-1-carboxylate has a molecular weight of 293.41 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-propan-2-yl-1H-imidazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 134789944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).