N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoacetamide

C24H30N6O2 — CID 154862929

IUPACN-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)nn1C(C)C1CC1
InChIInChI=1S/C24H30N6O2/c1-15-14-22(27-30(15)16(2)18-8-9-18)26-23(31)24(32)28-12-10-19(11-13-28)29-17(3)25-20-6-4-5-7-21(20)29/h4-7,14,16,18-19H,8-13H2,1-3H3,(H,26,27,31)
InChIKeyYDOIEUKUTCRIGY-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.62
Rot. Bonds4

About N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoacetamide

N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 154862929) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID154862929
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)nn1C(C)C1CC1
InChIInChI=1S/C24H30N6O2/c1-15-14-22(27-30(15)16(2)18-8-9-18)26-23(31)24(32)28-12-10-19(11-13-28)29-17(3)25-20-6-4-5-7-21(20)29/h4-7,14,16,18-19H,8-13H2,1-3H3,(H,26,27,31)
InChIKeyYDOIEUKUTCRIGY-UHFFFAOYSA-N
XLogP3.62
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-[2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 155952808
4-(5-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 1469458
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]methanone
CID 121193939
5-(cyanomethyl)-N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 126838687
1-(1-benzylpiperidin-4-yl)-2-methylbenzimidazole
CID 21193036
3-[2-[3-(2-methylbenzimidazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 121021849
1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)piperidin-1-yl]-3,3-diphenylpropan-1-one
CID 10812266
1-[4-(6-fluoro-2-methylbenzimidazol-1-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 46108984
4-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-(2-methylphenyl)piperidine-1-carboxamide
CID 46286561
1-[1-[3-(4-iodophenyl)-3-phenylpropyl]piperidin-4-yl]-2-methylbenzimidazole
CID 58282556
(2S)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one
CID 129393280
(2R)-2-amino-1-[4-(2-ethylbenzimidazol-1-yl)piperidin-1-yl]propan-1-one;hydrochloride
CID 120873998

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoacetamide (CID 154862929) is N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2CCC(n3c(C)nc4ccccc43)CC2)nn1C(C)C1CC1.
What is the InChIKey of N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is YDOIEUKUTCRIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-15-14-22(27-30(15)16(2)18-8-9-18)26-23(31)24(32)28-12-10-19(11-13-28)29-17(3)25-20-6-4-5-7-21(20)29/h4-7,14,16,18-19H,8-13H2,1-3H3,(H,26,27,31).
What are the key properties of N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoacetamide?
N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 434.54 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 154862929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).