propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate

C13H21N3O2 — CID 72932190

IUPACpropan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(c2nccn2C)CC1
InChIInChI=1S/C13H21N3O2/c1-10(2)18-13(17)16-7-4-11(5-8-16)12-14-6-9-15(12)3/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyDLCLVXADWUNAJL-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.14
Rot. Bonds2

About propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate

propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate (PubChem CID 72932190) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate
PubChem CID72932190
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Namepropan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCC(c2nccn2C)CC1
InChIInChI=1S/C13H21N3O2/c1-10(2)18-13(17)16-7-4-11(5-8-16)12-14-6-9-15(12)3/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyDLCLVXADWUNAJL-UHFFFAOYSA-N
XLogP2.14
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 72886702
2-hydroxy-1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-4-methylsulfanylbutan-1-one
CID 70771246
2-(2-methoxyphenyl)-1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70718807
N-[1-(dimethylamino)-1-oxopropan-2-yl]-3-(1-methylimidazol-2-yl)pyrrolidine-1-carboxamide
CID 132984539
2-cyclopentyl-1-methylimidazole
CID 83382106
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 97125171
2-methyl-6-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 72927882
1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-phenylpiperidin-1-yl)ethanone
CID 70767253
1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(4-methylsulfonylphenyl)ethanone
CID 72896741
propan-2-yl 4-[4-cyclopropyl-5-(imidazol-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine-1-carboxylate
CID 72846818
[4-(1-methylimidazol-2-yl)piperidin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
CID 70788203
propan-2-yl 4-[(1S)-1-(2-chloropyrimidin-5-yl)oxyethyl]piperidine-1-carboxylate
CID 154077034

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate (CID 72932190) is propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate is CC(C)OC(=O)N1CCC(c2nccn2C)CC1.
What is the InChIKey of propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate?
The InChIKey is DLCLVXADWUNAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10(2)18-13(17)16-7-4-11(5-8-16)12-14-6-9-15(12)3/h6,9-11H,4-5,7-8H2,1-3H3.
What are the key properties of propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate?
propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate has a molecular weight of 251.33 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-(1-methylimidazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 72932190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).