N-[1-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]benzamide

C22H24N6O3 — CID 42483213

IUPACN-[1-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]benzamide
SMILESCn1ccnc1C(=O)[C@@H]1CCCN(C(=O)Cn2cc(NC(=O)c3ccccc3)cn2)C1
InChIInChI=1S/C22H24N6O3/c1-26-11-9-23-21(26)20(30)17-8-5-10-27(13-17)19(29)15-28-14-18(12-24-28)25-22(31)16-6-3-2-4-7-16/h2-4,6-7,9,11-12,14,17H,5,8,10,13,15H2,1H3,(H,25,31)/t17-/m1/s1
InChIKeyUAHCAXWQCASBHH-QGZVFWFLSA-N
MW420.47 g/mol
LogP1.99
Rot. Bonds6

About N-[1-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]benzamide

N-[1-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]benzamide (PubChem CID 42483213) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[1-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]benzamide
PubChem CID42483213
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC NameN-[1-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]benzamide
SMILESCn1ccnc1C(=O)[C@@H]1CCCN(C(=O)Cn2cc(NC(=O)c3ccccc3)cn2)C1
InChIInChI=1S/C22H24N6O3/c1-26-11-9-23-21(26)20(30)17-8-5-10-27(13-17)19(29)15-28-14-18(12-24-28)25-22(31)16-6-3-2-4-7-16/h2-4,6-7,9,11-12,14,17H,5,8,10,13,15H2,1H3,(H,25,31)/t17-/m1/s1
InChIKeyUAHCAXWQCASBHH-QGZVFWFLSA-N
XLogP1.99
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]benzamide
CID 45206511
1-[2-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 45189605
(3R)-N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126453049
4,6-dimethyl-1-[2-[(3S)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 96575005
N-[1-[2-oxo-2-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]pyrazol-4-yl]benzamide
CID 26350511
N-[1-[2-[(3R)-3-(morpholine-4-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]-2-phenoxyacetamide
CID 26347978
ethyl 1-[2-(4-benzamidopyrazol-1-yl)acetyl]piperidine-2-carboxylate
CID 45201699
(3S)-N-(2-indol-1-ylethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126424079
1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 70736283
[1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 70742832
(1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 171914388
1-[3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]ethanone
CID 45222283

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-[1-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]benzamide (CID 42483213) is N-[1-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-[1-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]benzamide is Cn1ccnc1C(=O)[C@@H]1CCCN(C(=O)Cn2cc(NC(=O)c3ccccc3)cn2)C1.
What is the InChIKey of N-[1-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]benzamide?
The InChIKey is UAHCAXWQCASBHH-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-26-11-9-23-21(26)20(30)17-8-5-10-27(13-17)19(29)15-28-14-18(12-24-28)25-22(31)16-6-3-2-4-7-16/h2-4,6-7,9,11-12,14,17H,5,8,10,13,15H2,1H3,(H,25,31)/t17-/m1/s1.
What are the key properties of N-[1-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]benzamide?
N-[1-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]benzamide has a molecular weight of 420.47 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(3R)-3-(1-methylimidazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 42483213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).