N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(3-methylpiperidine-1-carbonyl)piperidine-1-carboxamide

C24H33N5O2 — CID 78874746

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(3-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)N1CCC(C(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C24H33N5O2/c1-17-8-7-13-28(16-17)23(30)20-11-14-27(15-12-20)24(31)25-22-18(2)26-29(19(22)3)21-9-5-4-6-10-21/h4-6,9-10,17,20H,7-8,11-16H2,1-3H3,(H,25,31)
InChIKeyZQAWTTJLBIPBAL-UHFFFAOYSA-N
MW423.56 g/mol
LogP3.99
Rot. Bonds3

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(3-methylpiperidine-1-carbonyl)piperidine-1-carboxamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(3-methylpiperidine-1-carbonyl)piperidine-1-carboxamide (PubChem CID 78874746) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(3-methylpiperidine-1-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(3-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
PubChem CID78874746
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(3-methylpiperidine-1-carbonyl)piperidine-1-carboxamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)N1CCC(C(=O)N2CCCC(C)C2)CC1
InChIInChI=1S/C24H33N5O2/c1-17-8-7-13-28(16-17)23(30)20-11-14-27(15-12-20)24(31)25-22-18(2)26-29(19(22)3)21-9-5-4-6-10-21/h4-6,9-10,17,20H,7-8,11-16H2,1-3H3,(H,25,31)
InChIKeyZQAWTTJLBIPBAL-UHFFFAOYSA-N
XLogP3.99
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-morpholin-4-ylpiperidine-1-carboxamide
CID 45237197
[1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 53028420
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 134033637
(4S)-4-[(3R)-3-methylpiperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 92719146
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)oxane-4-carboxamide
CID 51279535
(3R)-N-phenyl-1-[1-(phenylcarbamoyl)piperidine-4-carbonyl]piperidine-3-carboxamide
CID 34568694
cyclopentyl-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]methanone
CID 90506616
1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122087339
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
4-(3-methylpiperidine-1-carbonyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 113005850
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 8903337
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperidine-3-carboxamide
CID 119275721

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(3-methylpiperidine-1-carbonyl)piperidine-1-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(3-methylpiperidine-1-carbonyl)piperidine-1-carboxamide (CID 78874746) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(3-methylpiperidine-1-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(3-methylpiperidine-1-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(3-methylpiperidine-1-carbonyl)piperidine-1-carboxamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)N1CCC(C(=O)N2CCCC(C)C2)CC1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(3-methylpiperidine-1-carbonyl)piperidine-1-carboxamide?
The InChIKey is ZQAWTTJLBIPBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-17-8-7-13-28(16-17)23(30)20-11-14-27(15-12-20)24(31)25-22-18(2)26-29(19(22)3)21-9-5-4-6-10-21/h4-6,9-10,17,20H,7-8,11-16H2,1-3H3,(H,25,31).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(3-methylpiperidine-1-carbonyl)piperidine-1-carboxamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(3-methylpiperidine-1-carbonyl)piperidine-1-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(3-methylpiperidine-1-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 78874746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).