4-[4-[4-(5-ethoxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N,N-diethylbenzamide

C30H36N4O3 — CID 169273045

IUPAC4-[4-[4-(5-ethoxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N,N-diethylbenzamide
SMILESCCOc1cncc(-c2ccc(C(=O)N3CCN(c4ccc(C(=O)N(CC)CC)cc4)CC3)cc2C)c1
InChIInChI=1S/C30H36N4O3/c1-5-32(6-2)29(35)23-8-11-26(12-9-23)33-14-16-34(17-15-33)30(36)24-10-13-28(22(4)18-24)25-19-27(37-7-3)21-31-20-25/h8-13,18-21H,5-7,14-17H2,1-4H3
InChIKeyIGOXKEOPQGJIGN-UHFFFAOYSA-N
MW500.64 g/mol
LogP4.90
Rot. Bonds8

About 4-[4-[4-(5-ethoxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N,N-diethylbenzamide

4-[4-[4-(5-ethoxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N,N-diethylbenzamide (PubChem CID 169273045) has the molecular formula C30H36N4O3 and a molecular weight of 500.64 g/mol. Its IUPAC name is 4-[4-[4-(5-ethoxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[4-[4-(5-ethoxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N,N-diethylbenzamide
PubChem CID169273045
Molecular FormulaC30H36N4O3
Molecular Weight500.64 g/mol
Exact Mass500.28
IUPAC Name4-[4-[4-(5-ethoxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N,N-diethylbenzamide
SMILESCCOc1cncc(-c2ccc(C(=O)N3CCN(c4ccc(C(=O)N(CC)CC)cc4)CC3)cc2C)c1
InChIInChI=1S/C30H36N4O3/c1-5-32(6-2)29(35)23-8-11-26(12-9-23)33-14-16-34(17-15-33)30(36)24-10-13-28(22(4)18-24)25-19-27(37-7-3)21-31-20-25/h8-13,18-21H,5-7,14-17H2,1-4H3
InChIKeyIGOXKEOPQGJIGN-UHFFFAOYSA-N
XLogP4.90
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.64
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[3-[2-(5-ethoxy-3-pyridinyl)phenyl]propanoyl]piperazin-1-yl]-N,N-diethylbenzamide
CID 169271476
(3,4-dimethylphenyl)-[4-(4-ethoxyphenyl)piperazin-1-yl]methanone
CID 113077431
4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide
CID 169271309
4-[4-[[4-(5-ethoxy-3-pyridinyl)-3-methylphenyl]methyl]piperazin-1-yl]-N-methylsulfonylbenzamide
CID 169271564
N,N-diethyl-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109106568
N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106558
4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide
CID 169273112
(4-ethoxyphenyl)-[4-(5-methoxy-3-pyridinyl)piperazin-1-yl]methanone
CID 136558450
6-[4-[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N,N-diethylpyridazine-3-carboxamide
CID 169272181
4-[4-[5-[2-(5-ethoxy-3-pyridinyl)ethynyl]pyridine-3-carbonyl]piperazin-1-yl]-N-propylbenzamide
CID 169272612
1,3-benzodioxol-5-yl-[4-(4-ethoxyphenyl)piperazin-1-yl]methanone
CID 113077448
ethyl 4-[5-(diethylcarbamoyl)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109106671

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(5-ethoxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N,N-diethylbenzamide?
The IUPAC name of 4-[4-[4-(5-ethoxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N,N-diethylbenzamide (CID 169273045) is 4-[4-[4-(5-ethoxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[4-[4-(5-ethoxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[4-[4-(5-ethoxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N,N-diethylbenzamide is CCOc1cncc(-c2ccc(C(=O)N3CCN(c4ccc(C(=O)N(CC)CC)cc4)CC3)cc2C)c1.
What is the InChIKey of 4-[4-[4-(5-ethoxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N,N-diethylbenzamide?
The InChIKey is IGOXKEOPQGJIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O3/c1-5-32(6-2)29(35)23-8-11-26(12-9-23)33-14-16-34(17-15-33)30(36)24-10-13-28(22(4)18-24)25-19-27(37-7-3)21-31-20-25/h8-13,18-21H,5-7,14-17H2,1-4H3.
What are the key properties of 4-[4-[4-(5-ethoxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N,N-diethylbenzamide?
4-[4-[4-(5-ethoxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N,N-diethylbenzamide has a molecular weight of 500.64 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(5-ethoxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N,N-diethylbenzamide is sourced from PubChem (CID 169273045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).