N-(2-benzyl-5-methylpyrazol-3-yl)-3-piperidin-3-ylbutanamide

C20H28N4O — CID 119704837

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-3-piperidin-3-ylbutanamide
SMILESCc1cc(NC(=O)CC(C)C2CCCNC2)n(Cc2ccccc2)n1
InChIInChI=1S/C20H28N4O/c1-15(18-9-6-10-21-13-18)11-20(25)22-19-12-16(2)23-24(19)14-17-7-4-3-5-8-17/h3-5,7-8,12,15,18,21H,6,9-11,13-14H2,1-2H3,(H,22,25)
InChIKeyLQKIOXHIQVWWDT-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.20
Rot. Bonds6

About N-(2-benzyl-5-methylpyrazol-3-yl)-3-piperidin-3-ylbutanamide

N-(2-benzyl-5-methylpyrazol-3-yl)-3-piperidin-3-ylbutanamide (PubChem CID 119704837) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-3-piperidin-3-ylbutanamide
PubChem CID119704837
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-3-piperidin-3-ylbutanamide
SMILESCc1cc(NC(=O)CC(C)C2CCCNC2)n(Cc2ccccc2)n1
InChIInChI=1S/C20H28N4O/c1-15(18-9-6-10-21-13-18)11-20(25)22-19-12-16(2)23-24(19)14-17-7-4-3-5-8-17/h3-5,7-8,12,15,18,21H,6,9-11,13-14H2,1-2H3,(H,22,25)
InChIKeyLQKIOXHIQVWWDT-UHFFFAOYSA-N
XLogP3.20
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutanamide
CID 119864188
N-[2-(3-chlorophenyl)pyrazol-3-yl]-3-piperidin-3-ylbutanamide
CID 119773568
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670792
N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81044263
N-[2,6-di(propan-2-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119671508
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
N-(1-benzyl-2-methylpiperidin-4-yl)-3-piperidin-3-ylbutanamide
CID 119877367
1-(2-benzyl-5-methylpyrazol-3-yl)-3-[[(2S)-pyrrolidin-2-yl]methyl]urea
CID 74243118
N-(5-methyl-1H-pyrazol-3-yl)-3-piperidin-3-ylbutanamide
CID 81044534
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide
CID 119723826
N-(4-methyl-2-pyridinyl)-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119826802

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-3-piperidin-3-ylbutanamide (CID 119704837) is N-(2-benzyl-5-methylpyrazol-3-yl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-3-piperidin-3-ylbutanamide is Cc1cc(NC(=O)CC(C)C2CCCNC2)n(Cc2ccccc2)n1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-3-piperidin-3-ylbutanamide?
The InChIKey is LQKIOXHIQVWWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15(18-9-6-10-21-13-18)11-20(25)22-19-12-16(2)23-24(19)14-17-7-4-3-5-8-17/h3-5,7-8,12,15,18,21H,6,9-11,13-14H2,1-2H3,(H,22,25).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-3-piperidin-3-ylbutanamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-3-piperidin-3-ylbutanamide has a molecular weight of 340.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119704837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).