N-(1-benzylpiperidin-4-yl)-1-[(2R)-butan-2-yl]-5-methylpyrazole-4-carboxamide

C21H30N4O — CID 124841530

IUPACN-(1-benzylpiperidin-4-yl)-1-[(2R)-butan-2-yl]-5-methylpyrazole-4-carboxamide
SMILESCC[C@@H](C)n1ncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1C
InChIInChI=1S/C21H30N4O/c1-4-16(2)25-17(3)20(14-22-25)21(26)23-19-10-12-24(13-11-19)15-18-8-6-5-7-9-18/h5-9,14,16,19H,4,10-13,15H2,1-3H3,(H,23,26)/t16-/m1/s1
InChIKeyAQZAQLUVUCNPMB-MRXNPFEDSA-N
MW354.50 g/mol
LogP3.56
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-1-[(2R)-butan-2-yl]-5-methylpyrazole-4-carboxamide

N-(1-benzylpiperidin-4-yl)-1-[(2R)-butan-2-yl]-5-methylpyrazole-4-carboxamide (PubChem CID 124841530) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-[(2R)-butan-2-yl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-[(2R)-butan-2-yl]-5-methylpyrazole-4-carboxamide
PubChem CID124841530
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-[(2R)-butan-2-yl]-5-methylpyrazole-4-carboxamide
SMILESCC[C@@H](C)n1ncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1C
InChIInChI=1S/C21H30N4O/c1-4-16(2)25-17(3)20(14-22-25)21(26)23-19-10-12-24(13-11-19)15-18-8-6-5-7-9-18/h5-9,14,16,19H,4,10-13,15H2,1-3H3,(H,23,26)/t16-/m1/s1
InChIKeyAQZAQLUVUCNPMB-MRXNPFEDSA-N
XLogP3.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-butan-2-yl]-5-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 124844447
1-[(2R)-butan-2-yl]-N-[1-(cyclopropylmethyl)piperidin-4-yl]-5-methylpyrazole-4-carboxamide
CID 124732224
N-(1-benzylpiperidin-4-yl)-2-methyl-5-methylsulfanylbenzamide
CID 55532512
4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524544
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
1-benzyl-5-ethyl-N-[1-(2-phenylethyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 112823781
1-benzyl-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 86997426
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
methyl 2-[2-[(1-benzylpiperidin-4-yl)carbamoyl]phenyl]sulfanylpropanoate
CID 55870843
2-(aminomethyl)-N-(1-benzylpiperidin-4-yl)benzamide
CID 110451979
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[(2R)-butan-2-yl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-[(2R)-butan-2-yl]-5-methylpyrazole-4-carboxamide (CID 124841530) is N-(1-benzylpiperidin-4-yl)-1-[(2R)-butan-2-yl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-[(2R)-butan-2-yl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-[(2R)-butan-2-yl]-5-methylpyrazole-4-carboxamide is CC[C@@H](C)n1ncc(C(=O)NC2CCN(Cc3ccccc3)CC2)c1C.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-[(2R)-butan-2-yl]-5-methylpyrazole-4-carboxamide?
The InChIKey is AQZAQLUVUCNPMB-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H30N4O/c1-4-16(2)25-17(3)20(14-22-25)21(26)23-19-10-12-24(13-11-19)15-18-8-6-5-7-9-18/h5-9,14,16,19H,4,10-13,15H2,1-3H3,(H,23,26)/t16-/m1/s1.
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-[(2R)-butan-2-yl]-5-methylpyrazole-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-[(2R)-butan-2-yl]-5-methylpyrazole-4-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-[(2R)-butan-2-yl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 124841530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).