N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

C25H32N4O2 — CID 26328283

IUPACN-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C(=O)C2=CCCCC2)CC1
InChIInChI=1S/C25H32N4O2/c30-24(13-7-10-20-8-3-1-4-9-20)27-23-14-17-26-29(23)22-15-18-28(19-16-22)25(31)21-11-5-2-6-12-21/h1,3-4,8-9,11,14,17,22H,2,5-7,10,12-13,15-16,18-19H2,(H,27,30)
InChIKeyAMBMAAYYSFCZNU-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.51
Rot. Bonds7

About N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (PubChem CID 26328283) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
PubChem CID26328283
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESO=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C(=O)C2=CCCCC2)CC1
InChIInChI=1S/C25H32N4O2/c30-24(13-7-10-20-8-3-1-4-9-20)27-23-14-17-26-29(23)22-15-18-28(19-16-22)25(31)21-11-5-2-6-12-21/h1,3-4,8-9,11,14,17,22H,2,5-7,10,12-13,15-16,18-19H2,(H,27,30)
InChIKeyAMBMAAYYSFCZNU-UHFFFAOYSA-N
XLogP4.51
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenyl-N-[2-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 42514153
N-[2-[1-(2-cyclopropylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 56748004
N-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 24791135
N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
CID 26332273
N-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 25448307
N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 25369393
N-[2-[1-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 42565376
4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide
CID 26326222
3-phenyl-N-[2-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42404341
4-phenyl-N-[2-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide
CID 45216230
N-[2-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 95207571
N-[2-[1-(4-methyl-4-methylsulfanylpentan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 45241923

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (CID 26328283) is N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is O=C(CCCc1ccccc1)Nc1ccnn1C1CCN(C(=O)C2=CCCCC2)CC1.
What is the InChIKey of N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The InChIKey is AMBMAAYYSFCZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c30-24(13-7-10-20-8-3-1-4-9-20)27-23-14-17-26-29(23)22-15-18-28(19-16-22)25(31)21-11-5-2-6-12-21/h1,3-4,8-9,11,14,17,22H,2,5-7,10,12-13,15-16,18-19H2,(H,27,30).
What are the key properties of N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide has a molecular weight of 420.56 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 26328283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).