tert-butyl 3-[[1-(3-methylbutyl)imidazol-4-yl]methyl]-2-oxopiperidine-1-carboxylate

C19H31N3O3 — CID 22319423

IUPACtert-butyl 3-[[1-(3-methylbutyl)imidazol-4-yl]methyl]-2-oxopiperidine-1-carboxylate
SMILESCC(C)CCn1cnc(CC2CCCN(C(=O)OC(C)(C)C)C2=O)c1
InChIInChI=1S/C19H31N3O3/c1-14(2)8-10-21-12-16(20-13-21)11-15-7-6-9-22(17(15)23)18(24)25-19(3,4)5/h12-15H,6-11H2,1-5H3
InChIKeyWQIPIFTWSQKVPZ-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.65
Rot. Bonds5

About tert-butyl 3-[[1-(3-methylbutyl)imidazol-4-yl]methyl]-2-oxopiperidine-1-carboxylate

tert-butyl 3-[[1-(3-methylbutyl)imidazol-4-yl]methyl]-2-oxopiperidine-1-carboxylate (PubChem CID 22319423) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is tert-butyl 3-[[1-(3-methylbutyl)imidazol-4-yl]methyl]-2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[1-(3-methylbutyl)imidazol-4-yl]methyl]-2-oxopiperidine-1-carboxylate
PubChem CID22319423
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Nametert-butyl 3-[[1-(3-methylbutyl)imidazol-4-yl]methyl]-2-oxopiperidine-1-carboxylate
SMILESCC(C)CCn1cnc(CC2CCCN(C(=O)OC(C)(C)C)C2=O)c1
InChIInChI=1S/C19H31N3O3/c1-14(2)8-10-21-12-16(20-13-21)11-15-7-6-9-22(17(15)23)18(24)25-19(3,4)5/h12-15H,6-11H2,1-5H3
InChIKeyWQIPIFTWSQKVPZ-UHFFFAOYSA-N
XLogP3.65
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S)-3-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]-2-oxopiperidine-1-carboxylate
CID 71231553
tert-butyl 3-[(9-methyl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)methyl]-2-oxopiperidine-1-carboxylate
CID 123234978
tert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate
CID 131152423
tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate
CID 10846260
tert-butyl 3-bromo-2-oxopiperidine-1-carboxylate
CID 86276594
2-[1-(3-methylbutyl)imidazol-4-yl]acetic acid
CID 70036938
tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperidin-3-yl]methyl]-4,10-dihydroimidazo[1,5-a]quinoxalin-10-ium-5-carboxylate
CID 173063874
3-[1-(3-methylbutyl)imidazol-4-yl]propanoic acid
CID 98014080
tert-butyl 3-(3-methylbutyl)-4-oxopiperidine-1-carboxylate
CID 114451438
tert-butyl 3-(4-methylbenzoyl)-2-oxopiperidine-1-carboxylate
CID 145068213
tert-butyl 3-iodo-2-oxopyrrolidine-1-carboxylate
CID 156755217
tert-butyl 3-(4-bromobenzoyl)-2-oxopiperidine-1-carboxylate
CID 90458862

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[1-(3-methylbutyl)imidazol-4-yl]methyl]-2-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[1-(3-methylbutyl)imidazol-4-yl]methyl]-2-oxopiperidine-1-carboxylate (CID 22319423) is tert-butyl 3-[[1-(3-methylbutyl)imidazol-4-yl]methyl]-2-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[1-(3-methylbutyl)imidazol-4-yl]methyl]-2-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[1-(3-methylbutyl)imidazol-4-yl]methyl]-2-oxopiperidine-1-carboxylate is CC(C)CCn1cnc(CC2CCCN(C(=O)OC(C)(C)C)C2=O)c1.
What is the InChIKey of tert-butyl 3-[[1-(3-methylbutyl)imidazol-4-yl]methyl]-2-oxopiperidine-1-carboxylate?
The InChIKey is WQIPIFTWSQKVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-14(2)8-10-21-12-16(20-13-21)11-15-7-6-9-22(17(15)23)18(24)25-19(3,4)5/h12-15H,6-11H2,1-5H3.
What are the key properties of tert-butyl 3-[[1-(3-methylbutyl)imidazol-4-yl]methyl]-2-oxopiperidine-1-carboxylate?
tert-butyl 3-[[1-(3-methylbutyl)imidazol-4-yl]methyl]-2-oxopiperidine-1-carboxylate has a molecular weight of 349.48 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[1-(3-methylbutyl)imidazol-4-yl]methyl]-2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 22319423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).