tert-butyl 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperidine-1-carboxylate

C17H29N3O2 — CID 134789102

IUPACtert-butyl 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperidine-1-carboxylate
SMILESCC(C)Cc1cnc(C2CCCN(C(=O)OC(C)(C)C)C2)[nH]1
InChIInChI=1S/C17H29N3O2/c1-12(2)9-14-10-18-15(19-14)13-7-6-8-20(11-13)16(21)22-17(3,4)5/h10,12-13H,6-9,11H2,1-5H3,(H,18,19)
InChIKeyDBVPQPVZYXKIOI-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.72
Rot. Bonds3

About tert-butyl 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperidine-1-carboxylate

tert-butyl 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperidine-1-carboxylate (PubChem CID 134789102) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is tert-butyl 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperidine-1-carboxylate
PubChem CID134789102
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Nametert-butyl 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperidine-1-carboxylate
SMILESCC(C)Cc1cnc(C2CCCN(C(=O)OC(C)(C)C)C2)[nH]1
InChIInChI=1S/C17H29N3O2/c1-12(2)9-14-10-18-15(19-14)13-7-6-8-20(11-13)16(21)22-17(3,4)5/h10,12-13H,6-9,11H2,1-5H3,(H,18,19)
InChIKeyDBVPQPVZYXKIOI-UHFFFAOYSA-N
XLogP3.72
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-imidazol-5-yl)propyl N-(2-methylpentyl)carbamate
CID 10515050
3-(1H-imidazol-4-yl)propyl 4-methylpentylcarbamate
CID 46879683
N-(tert-Butoxy-carbonyl)-N''-cyclohexylmethyl-N''''-[3-(1H-imidazol-4-yl)-propyl]-guanidine
CID 10361369
tert-butyl N-[N-cyclohexyl-N'-[4-(1H-imidazol-5-yl)butyl]carbamimidoyl]carbamate
CID 10248165
tert-butyl 3-(5-propan-2-yl-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 134789944
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
ethyl 4-[[(1S)-1-(5-methyl-1H-imidazol-2-yl)propyl]amino]piperidine-1-carboxylate
CID 125518090
1-[4-(1H-imidazol-5-yl)piperidin-1-yl]butan-1-one
CID 136513198

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperidine-1-carboxylate (CID 134789102) is tert-butyl 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperidine-1-carboxylate is CC(C)Cc1cnc(C2CCCN(C(=O)OC(C)(C)C)C2)[nH]1.
What is the InChIKey of tert-butyl 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperidine-1-carboxylate?
The InChIKey is DBVPQPVZYXKIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-12(2)9-14-10-18-15(19-14)13-7-6-8-20(11-13)16(21)22-17(3,4)5/h10,12-13H,6-9,11H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperidine-1-carboxylate?
tert-butyl 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperidine-1-carboxylate has a molecular weight of 307.44 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[5-(2-methylpropyl)-1H-imidazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 134789102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).