ethyl 2-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]acetate

C26H36N4O5 — CID 19357076

IUPACethyl 2-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)N1CCN(c2cc(C)cc(C)c2)CC1)c1cc(C(C)O)c(C)nc1OC
InChIInChI=1S/C26H36N4O5/c1-7-35-24(32)16-30(23-15-22(20(5)31)19(4)27-25(23)34-6)26(33)29-10-8-28(9-11-29)21-13-17(2)12-18(3)14-21/h12-15,20,31H,7-11,16H2,1-6H3
InChIKeyANUHPRJSFZUAME-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.38
Rot. Bonds7

About ethyl 2-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]acetate

ethyl 2-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]acetate (PubChem CID 19357076) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is ethyl 2-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]acetate
PubChem CID19357076
Molecular FormulaC26H36N4O5
Molecular Weight484.60 g/mol
Exact Mass484.27
IUPAC Nameethyl 2-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)N1CCN(c2cc(C)cc(C)c2)CC1)c1cc(C(C)O)c(C)nc1OC
InChIInChI=1S/C26H36N4O5/c1-7-35-24(32)16-30(23-15-22(20(5)31)19(4)27-25(23)34-6)26(33)29-10-8-28(9-11-29)21-13-17(2)12-18(3)14-21/h12-15,20,31H,7-11,16H2,1-6H3
InChIKeyANUHPRJSFZUAME-UHFFFAOYSA-N
XLogP3.38
TPSA95.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]acetate with MolForge

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Related Compounds

4-(3,5-dimethylphenyl)-N-ethyl-N-(3-methoxynaphthalen-2-yl)piperazine-1-carboxamide
CID 23446282
4-(3,5-dimethylphenyl)-N-[5-(2-hydroxypropan-2-yl)-2-methoxy-6-methyl-3-pyridinyl]piperazine-1-carboxamide
CID 19357004
4-(3,5-dimethylphenyl)-N-[1-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide
CID 23446229
4-(3,5-dimethoxyphenyl)-N-ethyl-N-(2-methoxy-4,5-dimethylphenyl)piperazine-1-carboxamide
CID 19357201
1-[4-(3,5-dimethylphenyl)piperazin-1-yl]pentan-1-one
CID 113075585
4-(3,5-dimethylphenyl)-N-[2-(3-methoxyquinoxalin-2-yl)ethyl]piperazine-1-carboxamide
CID 91601033
ethyl 4-[2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate
CID 107877242
4-(3,5-dimethylphenyl)-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113111741
N-[1-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 18663123
N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)-4-(4-methylphenyl)piperazine-1-carboxamide
CID 18663113
4-(3,5-dimethylphenyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 113111740
N-(6-chloro-3-methoxyfuro[2,3-b]pyrazin-2-yl)-4-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 138539557

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]acetate?
The IUPAC name of ethyl 2-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]acetate (CID 19357076) is ethyl 2-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]acetate is CCOC(=O)CN(C(=O)N1CCN(c2cc(C)cc(C)c2)CC1)c1cc(C(C)O)c(C)nc1OC.
What is the InChIKey of ethyl 2-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]acetate?
The InChIKey is ANUHPRJSFZUAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O5/c1-7-35-24(32)16-30(23-15-22(20(5)31)19(4)27-25(23)34-6)26(33)29-10-8-28(9-11-29)21-13-17(2)12-18(3)14-21/h12-15,20,31H,7-11,16H2,1-6H3.
What are the key properties of ethyl 2-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]acetate?
ethyl 2-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]acetate has a molecular weight of 484.60 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-(3,5-dimethylphenyl)piperazine-1-carbonyl]-[5-(1-hydroxyethyl)-2-methoxy-6-methyl-3-pyridinyl]amino]acetate is sourced from PubChem (CID 19357076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).