N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

C27H34N4O2 — CID 24817387

IUPACN-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESCCOc1ccc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C27H34N4O2/c1-2-33-25-13-11-23(12-14-25)21-30-19-16-24(17-20-30)31-26(15-18-28-31)29-27(32)10-6-9-22-7-4-3-5-8-22/h3-5,7-8,11-15,18,24H,2,6,9-10,16-17,19-21H2,1H3,(H,29,32)
InChIKeyOFCDDIMWEULZAR-UHFFFAOYSA-N
MW446.60 g/mol
LogP5.08
Rot. Bonds10

About N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide

N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (PubChem CID 24817387) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
PubChem CID24817387
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC NameN-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
SMILESCCOc1ccc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)cc1
InChIInChI=1S/C27H34N4O2/c1-2-33-25-13-11-23(12-14-25)21-30-19-16-24(17-20-30)31-26(15-18-28-31)29-27(32)10-6-9-22-7-4-3-5-8-22/h3-5,7-8,11-15,18,24H,2,6,9-10,16-17,19-21H2,1H3,(H,29,32)
InChIKeyOFCDDIMWEULZAR-UHFFFAOYSA-N
XLogP5.08
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide 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 N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The IUPAC name of N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide (CID 24817387) is N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide.
What is the SMILES notation for N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The canonical SMILES for N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is CCOc1ccc(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)cc1.
What is the InChIKey of N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
The InChIKey is OFCDDIMWEULZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-2-33-25-13-11-23(12-14-25)21-30-19-16-24(17-20-30)31-26(15-18-28-31)29-27(32)10-6-9-22-7-4-3-5-8-22/h3-5,7-8,11-15,18,24H,2,6,9-10,16-17,19-21H2,1H3,(H,29,32).
What are the key properties of N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide?
N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide has a molecular weight of 446.60 g/mol, XLogP of 5.08, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(4-ethoxyphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide is sourced from PubChem (CID 24817387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).