4-(3-piperidin-1-ylphenoxy)-N-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]benzamide

C32H35N5O2 — CID 69181549

IUPAC4-(3-piperidin-1-ylphenoxy)-N-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]benzamide
SMILESO=C(NC1(c2ccc(-c3cn[nH]c3)cc2)CCNCC1)c1ccc(Oc2cccc(N3CCCCC3)c2)cc1
InChIInChI=1S/C32H35N5O2/c38-31(36-32(15-17-33-18-16-32)27-11-7-24(8-12-27)26-22-34-35-23-26)25-9-13-29(14-10-25)39-30-6-4-5-28(21-30)37-19-2-1-3-20-37/h4-14,21-23,33H,1-3,15-20H2,(H,34,35)(H,36,38)
InChIKeyBFCGDIOAIPIFIU-UHFFFAOYSA-N
MW521.67 g/mol
LogP5.87
Rot. Bonds7

About 4-(3-piperidin-1-ylphenoxy)-N-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]benzamide

4-(3-piperidin-1-ylphenoxy)-N-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]benzamide (PubChem CID 69181549) has the molecular formula C32H35N5O2 and a molecular weight of 521.67 g/mol. Its IUPAC name is 4-(3-piperidin-1-ylphenoxy)-N-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name4-(3-piperidin-1-ylphenoxy)-N-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]benzamide
PubChem CID69181549
Molecular FormulaC32H35N5O2
Molecular Weight521.67 g/mol
Exact Mass521.28
IUPAC Name4-(3-piperidin-1-ylphenoxy)-N-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]benzamide
SMILESO=C(NC1(c2ccc(-c3cn[nH]c3)cc2)CCNCC1)c1ccc(Oc2cccc(N3CCCCC3)c2)cc1
InChIInChI=1S/C32H35N5O2/c38-31(36-32(15-17-33-18-16-32)27-11-7-24(8-12-27)26-22-34-35-23-26)25-9-13-29(14-10-25)39-30-6-4-5-28(21-30)37-19-2-1-3-20-37/h4-14,21-23,33H,1-3,15-20H2,(H,34,35)(H,36,38)
InChIKeyBFCGDIOAIPIFIU-UHFFFAOYSA-N
XLogP5.87
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.67
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(3-piperidin-1-ylphenoxy)-N-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-1-ylphenoxy)-N-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]benzamide?
The IUPAC name of 4-(3-piperidin-1-ylphenoxy)-N-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]benzamide (CID 69181549) is 4-(3-piperidin-1-ylphenoxy)-N-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 4-(3-piperidin-1-ylphenoxy)-N-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]benzamide?
The canonical SMILES for 4-(3-piperidin-1-ylphenoxy)-N-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]benzamide is O=C(NC1(c2ccc(-c3cn[nH]c3)cc2)CCNCC1)c1ccc(Oc2cccc(N3CCCCC3)c2)cc1.
What is the InChIKey of 4-(3-piperidin-1-ylphenoxy)-N-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]benzamide?
The InChIKey is BFCGDIOAIPIFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O2/c38-31(36-32(15-17-33-18-16-32)27-11-7-24(8-12-27)26-22-34-35-23-26)25-9-13-29(14-10-25)39-30-6-4-5-28(21-30)37-19-2-1-3-20-37/h4-14,21-23,33H,1-3,15-20H2,(H,34,35)(H,36,38).
What are the key properties of 4-(3-piperidin-1-ylphenoxy)-N-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]benzamide?
4-(3-piperidin-1-ylphenoxy)-N-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]benzamide has a molecular weight of 521.67 g/mol, XLogP of 5.87, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-1-ylphenoxy)-N-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 69181549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).