4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide

C36H34N4O4 — CID 169273112

IUPAC4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide
SMILESCCOc1cncc(-c2ccc(C(=O)N3CCN(c4ccc(C(=O)Nc5ccc(OC)cc5)cc4)CC3)c3ccccc23)c1
InChIInChI=1S/C36H34N4O4/c1-3-44-30-22-26(23-37-24-30)31-16-17-34(33-7-5-4-6-32(31)33)36(42)40-20-18-39(19-21-40)28-12-8-25(9-13-28)35(41)38-27-10-14-29(43-2)15-11-27/h4-17,22-24H,3,18-21H2,1-2H3,(H,38,41)
InChIKeyQGPFFUDXAIEBBW-UHFFFAOYSA-N
MW586.69 g/mol
LogP6.52
Rot. Bonds8

About 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide

4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide (PubChem CID 169273112) has the molecular formula C36H34N4O4 and a molecular weight of 586.69 g/mol. Its IUPAC name is 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide
PubChem CID169273112
Molecular FormulaC36H34N4O4
Molecular Weight586.69 g/mol
Exact Mass586.26
IUPAC Name4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide
SMILESCCOc1cncc(-c2ccc(C(=O)N3CCN(c4ccc(C(=O)Nc5ccc(OC)cc5)cc4)CC3)c3ccccc23)c1
InChIInChI=1S/C36H34N4O4/c1-3-44-30-22-26(23-37-24-30)31-16-17-34(33-7-5-4-6-32(31)33)36(42)40-20-18-39(19-21-40)28-12-8-25(9-13-28)35(41)38-27-10-14-29(43-2)15-11-27/h4-17,22-24H,3,18-21H2,1-2H3,(H,38,41)
InChIKeyQGPFFUDXAIEBBW-UHFFFAOYSA-N
XLogP6.52
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.69
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide
CID 169271309
4-[4-[[4-(5-ethoxy-3-pyridinyl)naphthalen-1-yl]methyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide
CID 169273397
4-methoxy-N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056093
4-[4-[4-(3-ethoxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 169273139
N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-4-phenylbenzamide
CID 17335407
N-[4-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]benzamide
CID 55917529
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
4-[4-[3-tert-butyl-5-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide
CID 169271874
(4-ethoxyphenyl)-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]methanone
CID 136558450
4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55376450
N-[4-[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]phenyl]-3,4,5-triethoxybenzamide
CID 17092762
4-chloro-N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]benzamide
CID 17335383

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide?
The IUPAC name of 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide (CID 169273112) is 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide.
What is the SMILES notation for 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide?
The canonical SMILES for 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide is CCOc1cncc(-c2ccc(C(=O)N3CCN(c4ccc(C(=O)Nc5ccc(OC)cc5)cc4)CC3)c3ccccc23)c1.
What is the InChIKey of 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide?
The InChIKey is QGPFFUDXAIEBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N4O4/c1-3-44-30-22-26(23-37-24-30)31-16-17-34(33-7-5-4-6-32(31)33)36(42)40-20-18-39(19-21-40)28-12-8-25(9-13-28)35(41)38-27-10-14-29(43-2)15-11-27/h4-17,22-24H,3,18-21H2,1-2H3,(H,38,41).
What are the key properties of 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide?
4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide has a molecular weight of 586.69 g/mol, XLogP of 6.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide is sourced from PubChem (CID 169273112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).