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

C32H34N4O3 — CID 169271309

IUPAC4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cncc(OCC)c4)c4ccccc34)CC2)cc1
InChIInChI=1S/C32H34N4O3/c1-3-15-34-31(37)23-9-11-25(12-10-23)35-16-18-36(19-17-35)32(38)30-14-13-27(28-7-5-6-8-29(28)30)24-20-26(39-4-2)22-33-21-24/h5-14,20-22H,3-4,15-19H2,1-2H3,(H,34,37)
InChIKeyBIEDLYHPJFEPQB-UHFFFAOYSA-N
MW522.65 g/mol
LogP5.40
Rot. Bonds8

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

4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide (PubChem CID 169271309) has the molecular formula C32H34N4O3 and a molecular weight of 522.65 g/mol. Its IUPAC name is 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide.

Molecular Properties

Compound Name4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide
PubChem CID169271309
Molecular FormulaC32H34N4O3
Molecular Weight522.65 g/mol
Exact Mass522.26
IUPAC Name4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cncc(OCC)c4)c4ccccc34)CC2)cc1
InChIInChI=1S/C32H34N4O3/c1-3-15-34-31(37)23-9-11-25(12-10-23)35-16-18-36(19-17-35)32(38)30-14-13-27(28-7-5-6-8-29(28)30)24-20-26(39-4-2)22-33-21-24/h5-14,20-22H,3-4,15-19H2,1-2H3,(H,34,37)
InChIKeyBIEDLYHPJFEPQB-UHFFFAOYSA-N
XLogP5.40
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide
CID 169273112
4-[4-[4-(3-ethoxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 169273139
4-[4-[5-[2-(5-ethoxy-3-pyridinyl)ethynyl]pyridine-3-carbonyl]piperazin-1-yl]-N-propylbenzamide
CID 169272612
4-[4-[[4-(5-ethoxy-3-pyridinyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-propylbenzamide
CID 169271817
4-[4-[3-fluoro-4-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-propylbenzamide
CID 169271315
4-[4-[[4-(5-ethoxy-3-pyridinyl)naphthalen-1-yl]methyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide
CID 169273397
4-[4-[4-(5-ethoxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N,N-diethylbenzamide
CID 169273045
4-[4-[3-[2-(5-ethoxy-3-pyridinyl)ethynyl]-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-propylbenzamide
CID 169272742
6-[4-[[4-(5-ethoxy-3-pyridinyl)naphthalen-1-yl]methyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 169271629
4-[4-[3-[2-(5-ethoxy-3-pyridinyl)phenyl]propanoyl]piperazin-1-yl]-N,N-diethylbenzamide
CID 169271476
4-[4-[3-tert-butyl-5-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-propylbenzamide
CID 169271030
4-[4-[[4-(3-ethoxyphenyl)-3-fluorophenyl]methyl]piperazin-1-yl]-N-propylbenzamide
CID 169270928

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide?
The IUPAC name of 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide (CID 169271309) is 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide.
What is the SMILES notation for 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide?
The canonical SMILES for 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide is CCCNC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cncc(OCC)c4)c4ccccc34)CC2)cc1.
What is the InChIKey of 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide?
The InChIKey is BIEDLYHPJFEPQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4O3/c1-3-15-34-31(37)23-9-11-25(12-10-23)35-16-18-36(19-17-35)32(38)30-14-13-27(28-7-5-6-8-29(28)30)24-20-26(39-4-2)22-33-21-24/h5-14,20-22H,3-4,15-19H2,1-2H3,(H,34,37).
What are the key properties of 4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide?
4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide has a molecular weight of 522.65 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 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-propylbenzamide is sourced from PubChem (CID 169271309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).