N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

C26H32N4O — CID 25369393

IUPACN-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESCc1cccc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)c1
InChIInChI=1S/C26H32N4O/c1-21-7-5-11-23(19-21)20-29-17-14-24(15-18-29)30-25(13-16-27-30)28-26(31)12-6-10-22-8-3-2-4-9-22/h2-5,7-9,11,13,16,19,24H,6,10,12,14-15,17-18,20H2,1H3,(H,28,31)
InChIKeyVSHWBUCBWJKYDM-UHFFFAOYSA-N
MW416.57 g/mol
LogP4.99
Rot. Bonds8

About N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (PubChem CID 25369393) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
PubChem CID25369393
Molecular FormulaC26H32N4O
Molecular Weight416.57 g/mol
Exact Mass416.26
IUPAC NameN-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESCc1cccc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)c1
InChIInChI=1S/C26H32N4O/c1-21-7-5-11-23(19-21)20-29-17-14-24(15-18-29)30-25(13-16-27-30)28-26(31)12-6-10-22-8-3-2-4-9-22/h2-5,7-9,11,13,16,19,24H,6,10,12,14-15,17-18,20H2,1H3,(H,28,31)
InChIKeyVSHWBUCBWJKYDM-UHFFFAOYSA-N
XLogP4.99
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[1-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 42565376
N-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 24791135
N-[2-[1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 24819374
N-[2-[1-[(3-methylsulfanylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
CID 25455004
N-[2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 42287752
N-[2-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 56748004
4-phenyl-N-[2-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 42514153
N-[2-[1-[(3-acetylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenoxypropanamide
CID 24791036
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-phenoxypropanamide
CID 24817380
3-phenyl-N-[2-[1-[(2,3,6-trifluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42155853
N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 26328283
4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide
CID 26326222

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (CID 25369393) is N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is Cc1cccc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)c1.
What is the InChIKey of N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The InChIKey is VSHWBUCBWJKYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O/c1-21-7-5-11-23(19-21)20-29-17-14-24(15-18-29)30-25(13-16-27-30)28-26(31)12-6-10-22-8-3-2-4-9-22/h2-5,7-9,11,13,16,19,24H,6,10,12,14-15,17-18,20H2,1H3,(H,28,31).
What are the key properties of N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide has a molecular weight of 416.57 g/mol, XLogP of 4.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 25369393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).