N-(1,3-ditert-butylpyrazol-5-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide

C20H32N6O — CID 139009277

IUPACN-(1,3-ditert-butylpyrazol-5-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)N2CCCCC2c2ncc[nH]2)n(C(C)(C)C)n1
InChIInChI=1S/C20H32N6O/c1-19(2,3)15-13-16(26(24-15)20(4,5)6)23-18(27)25-12-8-7-9-14(25)17-21-10-11-22-17/h10-11,13-14H,7-9,12H2,1-6H3,(H,21,22)(H,23,27)
InChIKeyUJCTXZSQULLRHI-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.42
Rot. Bonds2

About N-(1,3-ditert-butylpyrazol-5-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide

N-(1,3-ditert-butylpyrazol-5-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide (PubChem CID 139009277) has the molecular formula C20H32N6O and a molecular weight of 372.52 g/mol. Its IUPAC name is N-(1,3-ditert-butylpyrazol-5-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-ditert-butylpyrazol-5-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
PubChem CID139009277
Molecular FormulaC20H32N6O
Molecular Weight372.52 g/mol
Exact Mass372.26
IUPAC NameN-(1,3-ditert-butylpyrazol-5-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)N2CCCCC2c2ncc[nH]2)n(C(C)(C)C)n1
InChIInChI=1S/C20H32N6O/c1-19(2,3)15-13-16(26(24-15)20(4,5)6)23-18(27)25-12-8-7-9-14(25)17-21-10-11-22-17/h10-11,13-14H,7-9,12H2,1-6H3,(H,21,22)(H,23,27)
InChIKeyUJCTXZSQULLRHI-UHFFFAOYSA-N
XLogP4.42
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,3-ditert-butylpyrazol-5-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 71856052
(2S)-2-(1H-imidazol-2-yl)-N-(3-methyl-1,2-thiazol-5-yl)piperidine-1-carboxamide
CID 97005000
2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 51107826
1-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122079257
1-[(1,3-ditert-butylpyrazol-5-yl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122079262
2-[(2R)-2-(1H-imidazol-2-yl)piperidin-1-yl]-N-(1-methylpyrazol-4-yl)-2-oxoacetamide
CID 124571602
2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide
CID 75401483
(2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97028237
(2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 124730488
(2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 124560581
2-(1H-imidazol-2-yl)-N-(3-methyl-4-nitrophenyl)piperidine-1-carboxamide
CID 86796873
(2S)-N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 95154853

Frequently Asked Questions

What is the IUPAC name of N-(1,3-ditert-butylpyrazol-5-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-(1,3-ditert-butylpyrazol-5-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide (CID 139009277) is N-(1,3-ditert-butylpyrazol-5-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1,3-ditert-butylpyrazol-5-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(1,3-ditert-butylpyrazol-5-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide is CC(C)(C)c1cc(NC(=O)N2CCCCC2c2ncc[nH]2)n(C(C)(C)C)n1.
What is the InChIKey of N-(1,3-ditert-butylpyrazol-5-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is UJCTXZSQULLRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6O/c1-19(2,3)15-13-16(26(24-15)20(4,5)6)23-18(27)25-12-8-7-9-14(25)17-21-10-11-22-17/h10-11,13-14H,7-9,12H2,1-6H3,(H,21,22)(H,23,27).
What are the key properties of N-(1,3-ditert-butylpyrazol-5-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
N-(1,3-ditert-butylpyrazol-5-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 372.52 g/mol, XLogP of 4.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-ditert-butylpyrazol-5-yl)-2-(1H-imidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 139009277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).