(4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone

C24H27N3O — CID 95130724

IUPAC(4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(CCCn2cccn2)C1
InChIInChI=1S/C24H27N3O/c28-24(22-12-10-21(11-13-22)20-7-2-1-3-8-20)23-9-4-15-26(19-23)16-6-18-27-17-5-14-25-27/h1-3,5,7-8,10-14,17,23H,4,6,9,15-16,18-19H2/t23-/m1/s1
InChIKeyIAPNAFNFFUNLLR-HSZRJFAPSA-N
MW373.50 g/mol
LogP4.54
Rot. Bonds7

About (4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone

(4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone (PubChem CID 95130724) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is (4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
PubChem CID95130724
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name(4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(CCCn2cccn2)C1
InChIInChI=1S/C24H27N3O/c28-24(22-12-10-21(11-13-22)20-7-2-1-3-8-20)23-9-4-15-26(19-23)16-6-18-27-17-5-14-25-27/h1-3,5,7-8,10-14,17,23H,4,6,9,15-16,18-19H2/t23-/m1/s1
InChIKeyIAPNAFNFFUNLLR-HSZRJFAPSA-N
XLogP4.54
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 45229638
(3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 42403988
(4-phenylphenyl)-[1-(pyridin-3-ylmethyl)piperidin-3-yl]methanone
CID 45178461
phenyl-(1-propylpiperidin-3-yl)methanone
CID 91406553
(1-benzylpiperidin-3-yl)-pyridin-4-ylmethanone
CID 142430235
[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45231856
(4-phenylphenyl)-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 42356484
1-(3-pyrazol-1-ylpropyl)-3-pyrrolidin-1-ylpiperidine
CID 56718569
(4-fluorophenyl)-[(3S)-1-[3-(2-methylimidazol-1-yl)propyl]piperidin-3-yl]methanone
CID 97074751
3-pyrazol-1-yl-1-[(3R)-3-[4-(trifluoromethyl)benzoyl]piperidin-1-yl]propan-1-one
CID 42286062
[1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 91829986
[(3S)-1-[3-(4-methylpyrazol-1-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124757098

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone?
The IUPAC name of (4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone (CID 95130724) is (4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone is O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(CCCn2cccn2)C1.
What is the InChIKey of (4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone?
The InChIKey is IAPNAFNFFUNLLR-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H27N3O/c28-24(22-12-10-21(11-13-22)20-7-2-1-3-8-20)23-9-4-15-26(19-23)16-6-18-27-17-5-14-25-27/h1-3,5,7-8,10-14,17,23H,4,6,9,15-16,18-19H2/t23-/m1/s1.
What are the key properties of (4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone?
(4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone has a molecular weight of 373.50 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone is sourced from PubChem (CID 95130724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).