4-phenyl-N-[2-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide

C26H33N5O — CID 45216230

IUPAC4-phenyl-N-[2-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCC(Cc1ccccn1)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C26H33N5O/c1-21(20-23-11-5-6-16-27-23)30-18-14-24(15-19-30)31-25(13-17-28-31)29-26(32)12-7-10-22-8-3-2-4-9-22/h2-6,8-9,11,13,16-17,21,24H,7,10,12,14-15,18-20H2,1H3,(H,29,32)
InChIKeyISHAJITUHDTGNJ-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.51
Rot. Bonds9

About 4-phenyl-N-[2-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide

4-phenyl-N-[2-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide (PubChem CID 45216230) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is 4-phenyl-N-[2-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[2-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide
PubChem CID45216230
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC Name4-phenyl-N-[2-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide
SMILESCC(Cc1ccccn1)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C26H33N5O/c1-21(20-23-11-5-6-16-27-23)30-18-14-24(15-19-30)31-25(13-17-28-31)29-26(32)12-7-10-22-8-3-2-4-9-22/h2-6,8-9,11,13,16-17,21,24H,7,10,12,14-15,18-20H2,1H3,(H,29,32)
InChIKeyISHAJITUHDTGNJ-UHFFFAOYSA-N
XLogP4.51
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-N-[2-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]pyrazol-3-yl]butanamide
CID 26326222
N-[2-[1-(4-methyl-4-methylsulfanylpentan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 45241923
N-[2-[1-(2-methylsulfanylacetyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 24791135
N-[2-[1-[(2R)-5-methylhex-5-en-2-yl]piperidin-4-yl]pyrazol-3-yl]-2-phenylacetamide
CID 25364242
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-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 42565376
N-[2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 25369393
N-[2-[1-(cyclohexene-1-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 26328283
N-[2-[1-(cyclobutanecarbonyl)piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 25448307
3-phenyl-N-[2-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]propanamide
CID 42404341
N-[2-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-phenylpropanamide
CID 42287752

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[2-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The IUPAC name of 4-phenyl-N-[2-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide (CID 45216230) is 4-phenyl-N-[2-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide.
What is the SMILES notation for 4-phenyl-N-[2-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The canonical SMILES for 4-phenyl-N-[2-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide is CC(Cc1ccccn1)N1CCC(n2nccc2NC(=O)CCCc2ccccc2)CC1.
What is the InChIKey of 4-phenyl-N-[2-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide?
The InChIKey is ISHAJITUHDTGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-21(20-23-11-5-6-16-27-23)30-18-14-24(15-19-30)31-25(13-17-28-31)29-26(32)12-7-10-22-8-3-2-4-9-22/h2-6,8-9,11,13,16-17,21,24H,7,10,12,14-15,18-20H2,1H3,(H,29,32).
What are the key properties of 4-phenyl-N-[2-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide?
4-phenyl-N-[2-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide has a molecular weight of 431.58 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[2-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]butanamide is sourced from PubChem (CID 45216230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).