4-[4-[3-[2-(5-ethoxy-3-pyridinyl)phenyl]propanoyl]piperazin-1-yl]-N,N-diethylbenzamide

C31H38N4O3 — CID 169271476

IUPAC4-[4-[3-[2-(5-ethoxy-3-pyridinyl)phenyl]propanoyl]piperazin-1-yl]-N,N-diethylbenzamide
SMILESCCOc1cncc(-c2ccccc2CCC(=O)N2CCN(c3ccc(C(=O)N(CC)CC)cc3)CC2)c1
InChIInChI=1S/C31H38N4O3/c1-4-33(5-2)31(37)25-11-14-27(15-12-25)34-17-19-35(20-18-34)30(36)16-13-24-9-7-8-10-29(24)26-21-28(38-6-3)23-32-22-26/h7-12,14-15,21-23H,4-6,13,16-20H2,1-3H3
InChIKeyXXHJRZQLGJXCEE-UHFFFAOYSA-N
MW514.67 g/mol
LogP4.91
Rot. Bonds10

About 4-[4-[3-[2-(5-ethoxy-3-pyridinyl)phenyl]propanoyl]piperazin-1-yl]-N,N-diethylbenzamide

4-[4-[3-[2-(5-ethoxy-3-pyridinyl)phenyl]propanoyl]piperazin-1-yl]-N,N-diethylbenzamide (PubChem CID 169271476) has the molecular formula C31H38N4O3 and a molecular weight of 514.67 g/mol. Its IUPAC name is 4-[4-[3-[2-(5-ethoxy-3-pyridinyl)phenyl]propanoyl]piperazin-1-yl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[4-[3-[2-(5-ethoxy-3-pyridinyl)phenyl]propanoyl]piperazin-1-yl]-N,N-diethylbenzamide
PubChem CID169271476
Molecular FormulaC31H38N4O3
Molecular Weight514.67 g/mol
Exact Mass514.29
IUPAC Name4-[4-[3-[2-(5-ethoxy-3-pyridinyl)phenyl]propanoyl]piperazin-1-yl]-N,N-diethylbenzamide
SMILESCCOc1cncc(-c2ccccc2CCC(=O)N2CCN(c3ccc(C(=O)N(CC)CC)cc3)CC2)c1
InChIInChI=1S/C31H38N4O3/c1-4-33(5-2)31(37)25-11-14-27(15-12-25)34-17-19-35(20-18-34)30(36)16-13-24-9-7-8-10-29(24)26-21-28(38-6-3)23-32-22-26/h7-12,14-15,21-23H,4-6,13,16-20H2,1-3H3
InChIKeyXXHJRZQLGJXCEE-UHFFFAOYSA-N
XLogP4.91
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.67
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[4-(5-ethoxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N,N-diethylbenzamide
CID 169273045
4-[4-[3-[2-(3-ethoxyphenyl)phenyl]propanoyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 169272402
N-benzylsulfinyl-4-[4-[[2-(5-ethoxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]benzamide
CID 170408655
N-benzylsulfanyl-4-[4-[[2-(5-ethoxy-3-pyridinyl)phenyl]methyl]piperazin-1-yl]benzamide
CID 170408653
4-[4-[4-(5-ethoxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-propylbenzamide
CID 169271309
4-[4-[3-[2-(5-hydroxy-3-pyridinyl)phenyl]propanoyl]piperazin-1-yl]-N-(3,3,3-trifluoropropylsulfonyl)benzamide
CID 169273356
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-[4-[[4-(3-ethoxyphenyl)-2-methoxyphenyl]methyl]piperazin-1-yl]-N,N-diethylbenzamide
CID 169271825
4-[4-[[4-(5-ethoxy-3-pyridinyl)naphthalen-1-yl]methyl]piperazin-1-yl]-N-(4-methoxyphenyl)benzamide
CID 169273397
1-[4-[4-[[2-(3-ethoxyphenyl)phenyl]methyl]piperazin-1-yl]phenyl]ethanone
CID 171442940
3-(2-chlorophenyl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 78775420

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[2-(5-ethoxy-3-pyridinyl)phenyl]propanoyl]piperazin-1-yl]-N,N-diethylbenzamide?
The IUPAC name of 4-[4-[3-[2-(5-ethoxy-3-pyridinyl)phenyl]propanoyl]piperazin-1-yl]-N,N-diethylbenzamide (CID 169271476) is 4-[4-[3-[2-(5-ethoxy-3-pyridinyl)phenyl]propanoyl]piperazin-1-yl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[4-[3-[2-(5-ethoxy-3-pyridinyl)phenyl]propanoyl]piperazin-1-yl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[4-[3-[2-(5-ethoxy-3-pyridinyl)phenyl]propanoyl]piperazin-1-yl]-N,N-diethylbenzamide is CCOc1cncc(-c2ccccc2CCC(=O)N2CCN(c3ccc(C(=O)N(CC)CC)cc3)CC2)c1.
What is the InChIKey of 4-[4-[3-[2-(5-ethoxy-3-pyridinyl)phenyl]propanoyl]piperazin-1-yl]-N,N-diethylbenzamide?
The InChIKey is XXHJRZQLGJXCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N4O3/c1-4-33(5-2)31(37)25-11-14-27(15-12-25)34-17-19-35(20-18-34)30(36)16-13-24-9-7-8-10-29(24)26-21-28(38-6-3)23-32-22-26/h7-12,14-15,21-23H,4-6,13,16-20H2,1-3H3.
What are the key properties of 4-[4-[3-[2-(5-ethoxy-3-pyridinyl)phenyl]propanoyl]piperazin-1-yl]-N,N-diethylbenzamide?
4-[4-[3-[2-(5-ethoxy-3-pyridinyl)phenyl]propanoyl]piperazin-1-yl]-N,N-diethylbenzamide has a molecular weight of 514.67 g/mol, XLogP of 4.91, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[2-(5-ethoxy-3-pyridinyl)phenyl]propanoyl]piperazin-1-yl]-N,N-diethylbenzamide is sourced from PubChem (CID 169271476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).