N-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide

C16H28N4O2 — CID 111507302

IUPACN-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C16H28N4O2/c1-13(21)10-16(2,3)11-18-15(22)19-7-4-14(5-8-19)20-9-6-17-12-20/h6,9,12-14,21H,4-5,7-8,10-11H2,1-3H3,(H,18,22)
InChIKeyYUQJTHWASTYIMO-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.03
Rot. Bonds5

About N-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide

N-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide (PubChem CID 111507302) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide
PubChem CID111507302
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC NameN-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide
SMILESCC(O)CC(C)(C)CNC(=O)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C16H28N4O2/c1-13(21)10-16(2,3)11-18-15(22)19-7-4-14(5-8-19)20-9-6-17-12-20/h6,9,12-14,21H,4-5,7-8,10-11H2,1-3H3,(H,18,22)
InChIKeyYUQJTHWASTYIMO-UHFFFAOYSA-N
XLogP2.03
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-2,2-dimethylpentyl)-4-methylpiperidine-1-carboxamide
CID 111507377
2-amino-3-[(4-imidazol-1-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 67154491
N-(4-hydroxy-2,2-dimethylpentyl)-3-methylpiperidine-1-carboxamide
CID 111507279
4-(cyclopropylmethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide
CID 111507440
N-(4-hydroxy-2,2-dimethylpentyl)thiomorpholine-4-carboxamide
CID 111507324
4-imidazol-1-yl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 71917763
2-amino-4-(4-imidazol-1-ylpiperidin-1-yl)-4-oxobutanoic acid
CID 70945433
4-(2,2-difluoroethyl)-N-(4-hydroxy-2,2-dimethylpentyl)piperazine-1-carboxamide
CID 111507298
N-[(2R)-2-(4-fluorophenyl)-2-methoxyethyl]-4-imidazol-1-ylpiperidine-1-carboxamide
CID 96999492
N-(4-hydroxy-2,2-dimethylpentyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 111507311
N-(4-hydroxy-2,2-dimethylpentyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 111507374
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-imidazol-1-ylpiperidine-1-carboxamide
CID 71976424

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide (CID 111507302) is N-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide is CC(O)CC(C)(C)CNC(=O)N1CCC(n2ccnc2)CC1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide?
The InChIKey is YUQJTHWASTYIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-13(21)10-16(2,3)11-18-15(22)19-7-4-14(5-8-19)20-9-6-17-12-20/h6,9,12-14,21H,4-5,7-8,10-11H2,1-3H3,(H,18,22).
What are the key properties of N-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide?
N-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylpentyl)-4-imidazol-1-ylpiperidine-1-carboxamide is sourced from PubChem (CID 111507302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).