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

C24H27N3O2 — CID 45229638

IUPAC(4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)C1CCCN(CCCn2cccn2)C1
InChIInChI=1S/C24H27N3O2/c28-24(20-10-12-23(13-11-20)29-22-8-2-1-3-9-22)21-7-4-15-26(19-21)16-6-18-27-17-5-14-25-27/h1-3,5,8-14,17,21H,4,6-7,15-16,18-19H2
InChIKeyLADTWMZCPNUIHS-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.66
Rot. Bonds8

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

(4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone (PubChem CID 45229638) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
PubChem CID45229638
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)C1CCCN(CCCn2cccn2)C1
InChIInChI=1S/C24H27N3O2/c28-24(20-10-12-23(13-11-20)29-22-8-2-1-3-9-22)21-7-4-15-26(19-21)16-6-18-27-17-5-14-25-27/h1-3,5,8-14,17,21H,4,6-7,15-16,18-19H2
InChIKeyLADTWMZCPNUIHS-UHFFFAOYSA-N
XLogP4.66
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-phenylphenyl)-[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 95130724
(3-fluoro-4-phenylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 42403988
3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide
CID 56863001
N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide
CID 95415351
(4-phenoxyphenyl)-[1-[2-(2H-tetrazol-5-yl)ethyl]piperidin-3-yl]methanone
CID 56868361
phenyl-(1-propylpiperidin-3-yl)methanone
CID 91406553
[1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 45195996
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 45178915
[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 29185356
2-methylsulfanyl-1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone
CID 42306399
(4-phenoxyphenyl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
CID 45205792
(4-chlorophenyl)-[(3R)-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-3-yl]methanone
CID 25460911

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone?
The IUPAC name of (4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone (CID 45229638) is (4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone?
The canonical SMILES for (4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone is O=C(c1ccc(Oc2ccccc2)cc1)C1CCCN(CCCn2cccn2)C1.
What is the InChIKey of (4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone?
The InChIKey is LADTWMZCPNUIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c28-24(20-10-12-23(13-11-20)29-22-8-2-1-3-9-22)21-7-4-15-26(19-21)16-6-18-27-17-5-14-25-27/h1-3,5,8-14,17,21H,4,6-7,15-16,18-19H2.
What are the key properties of (4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone?
(4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone has a molecular weight of 389.50 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone is sourced from PubChem (CID 45229638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).