N-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-3-ylbutanamide

C13H22N4O — CID 81044534

IUPACN-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-3-ylbutanamide
SMILESCc1cc(NC(=O)CC(C)C2CCCNC2)n[nH]1
InChIInChI=1S/C13H22N4O/c1-9(11-4-3-5-14-8-11)6-13(18)15-12-7-10(2)16-17-12/h7,9,11,14H,3-6,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyZPHCCSVMWCIAHO-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.68
Rot. Bonds4

About N-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-3-ylbutanamide

N-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-3-ylbutanamide (PubChem CID 81044534) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-3-ylbutanamide
PubChem CID81044534
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-3-ylbutanamide
SMILESCc1cc(NC(=O)CC(C)C2CCCNC2)n[nH]1
InChIInChI=1S/C13H22N4O/c1-9(11-4-3-5-14-8-11)6-13(18)15-12-7-10(2)16-17-12/h7,9,11,14H,3-6,8H2,1-2H3,(H2,15,16,17,18)
InChIKeyZPHCCSVMWCIAHO-UHFFFAOYSA-N
XLogP1.68
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119826802
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
3-piperidin-3-yl-N-pyrimidin-5-ylbutanamide
CID 107588596
N-(2-methyl-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81043884
N-(2,4-dimethylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670598
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
N-(5-bromo-2-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705936
N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide
CID 103094136
N-(6-ethoxy-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81049622
N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81044263

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-3-ylbutanamide (CID 81044534) is N-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-3-ylbutanamide is Cc1cc(NC(=O)CC(C)C2CCCNC2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-3-ylbutanamide?
The InChIKey is ZPHCCSVMWCIAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(11-4-3-5-14-8-11)6-13(18)15-12-7-10(2)16-17-12/h7,9,11,14H,3-6,8H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-3-ylbutanamide?
N-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-3-ylbutanamide has a molecular weight of 250.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 81044534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).