N-(1-cyclopropylpiperidin-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

C20H26N4O — CID 86921667

IUPACN-(1-cyclopropylpiperidin-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3CCN(C4CC4)CC3)cc2)n1
InChIInChI=1S/C20H26N4O/c1-14-13-15(2)24(22-14)19-5-3-16(4-6-19)20(25)21-17-9-11-23(12-10-17)18-7-8-18/h3-6,13,17-18H,7-12H2,1-2H3,(H,21,25)
InChIKeyLRELIHPBQFEPIZ-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.85
Rot. Bonds4

About N-(1-cyclopropylpiperidin-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

N-(1-cyclopropylpiperidin-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 86921667) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID86921667
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3CCN(C4CC4)CC3)cc2)n1
InChIInChI=1S/C20H26N4O/c1-14-13-15(2)24(22-14)19-5-3-16(4-6-19)20(25)21-17-9-11-23(12-10-17)18-7-8-18/h3-6,13,17-18H,7-12H2,1-2H3,(H,21,25)
InChIKeyLRELIHPBQFEPIZ-UHFFFAOYSA-N
XLogP2.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(3,5-dimethylpyrazol-1-yl)-N-piperidin-3-ylbenzamide;hydrochloride
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4-(3,5-dimethylpyrazol-1-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)benzamide
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CID 55349610
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N-(1-cyclopropylpiperidin-4-yl)-4-phenylbenzamide
CID 26131227
(2S)-2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]propanoic acid
CID 97337373
N-cyclohexyl-4-(3-methyl-5-phenylpyrazol-1-yl)benzamide
CID 4862165
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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 86921667) is N-(1-cyclopropylpiperidin-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)NC3CCN(C4CC4)CC3)cc2)n1.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is LRELIHPBQFEPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14-13-15(2)24(22-14)19-5-3-16(4-6-19)20(25)21-17-9-11-23(12-10-17)18-7-8-18/h3-6,13,17-18H,7-12H2,1-2H3,(H,21,25).
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(1-cyclopropylpiperidin-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 338.46 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 86921667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).