2-(4-ethoxy-3-methoxyphenyl)-N-[4-[1-(2-methylindazole-5-carbonyl)piperidin-4-yl]phenyl]acetamide

C31H34N4O4 — CID 171684328

IUPAC2-(4-ethoxy-3-methoxyphenyl)-N-[4-[1-(2-methylindazole-5-carbonyl)piperidin-4-yl]phenyl]acetamide
SMILESCCOc1ccc(CC(=O)Nc2ccc(C3CCN(C(=O)c4ccc5nn(C)cc5c4)CC3)cc2)cc1OC
InChIInChI=1S/C31H34N4O4/c1-4-39-28-12-5-21(17-29(28)38-3)18-30(36)32-26-9-6-22(7-10-26)23-13-15-35(16-14-23)31(37)24-8-11-27-25(19-24)20-34(2)33-27/h5-12,17,19-20,23H,4,13-16,18H2,1-3H3,(H,32,36)
InChIKeyDGNFECTXDNSTFU-UHFFFAOYSA-N
MW526.64 g/mol
LogP5.18
Rot. Bonds8

About 2-(4-ethoxy-3-methoxyphenyl)-N-[4-[1-(2-methylindazole-5-carbonyl)piperidin-4-yl]phenyl]acetamide

2-(4-ethoxy-3-methoxyphenyl)-N-[4-[1-(2-methylindazole-5-carbonyl)piperidin-4-yl]phenyl]acetamide (PubChem CID 171684328) has the molecular formula C31H34N4O4 and a molecular weight of 526.64 g/mol. Its IUPAC name is 2-(4-ethoxy-3-methoxyphenyl)-N-[4-[1-(2-methylindazole-5-carbonyl)piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxy-3-methoxyphenyl)-N-[4-[1-(2-methylindazole-5-carbonyl)piperidin-4-yl]phenyl]acetamide
PubChem CID171684328
Molecular FormulaC31H34N4O4
Molecular Weight526.64 g/mol
Exact Mass526.26
IUPAC Name2-(4-ethoxy-3-methoxyphenyl)-N-[4-[1-(2-methylindazole-5-carbonyl)piperidin-4-yl]phenyl]acetamide
SMILESCCOc1ccc(CC(=O)Nc2ccc(C3CCN(C(=O)c4ccc5nn(C)cc5c4)CC3)cc2)cc1OC
InChIInChI=1S/C31H34N4O4/c1-4-39-28-12-5-21(17-29(28)38-3)18-30(36)32-26-9-6-22(7-10-26)23-13-15-35(16-14-23)31(37)24-8-11-27-25(19-24)20-34(2)33-27/h5-12,17,19-20,23H,4,13-16,18H2,1-3H3,(H,32,36)
InChIKeyDGNFECTXDNSTFU-UHFFFAOYSA-N
XLogP5.18
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.64
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethoxy-3-methoxyphenyl)-N-[4-[1-[(E)-2-methyl-3-(5-methylfuran-2-yl)prop-2-enoyl]piperidin-4-yl]phenyl]acetamide
CID 171685191
(3,4-dimethoxyphenyl)-[4-(4-ethylphenyl)piperidin-1-yl]methanone
CID 70598788
N-[4-[1-(1-benzofuran-5-carbonyl)piperidin-4-yl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 171683445
N-[4-[1-(3-acetamido-4-methoxybenzoyl)piperidin-4-yl]phenyl]-2-(4-propan-2-ylphenyl)acetamide
CID 171683710
(4-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone
CID 82043489
N-[4-[1-(quinazoline-6-carbonyl)piperidin-4-yl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 171685190
ethyl 4-[[4-[1-(quinazoline-6-carbonyl)piperidin-4-yl]phenyl]carbamoyl]benzoate
CID 171684166
4-[[2-(3,4-dimethoxyphenyl)acetyl]amino]benzoic acid
CID 2738551
N-(1-benzoylpiperidin-4-yl)-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 108556529
N'-(4-fluorophenyl)-N-[4-[1-[2-(4-methoxy-3-methylphenyl)acetyl]piperidin-4-yl]phenyl]propanediamide
CID 171678318
3-(4-ethoxy-3-methoxyphenyl)-N-[1-(3-methylbenzoyl)piperidin-4-yl]propanamide
CID 108556522
2-(4-chloro-2-methoxyphenyl)-N-[4-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]phenyl]acetamide
CID 171681053

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxy-3-methoxyphenyl)-N-[4-[1-(2-methylindazole-5-carbonyl)piperidin-4-yl]phenyl]acetamide?
The IUPAC name of 2-(4-ethoxy-3-methoxyphenyl)-N-[4-[1-(2-methylindazole-5-carbonyl)piperidin-4-yl]phenyl]acetamide (CID 171684328) is 2-(4-ethoxy-3-methoxyphenyl)-N-[4-[1-(2-methylindazole-5-carbonyl)piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-ethoxy-3-methoxyphenyl)-N-[4-[1-(2-methylindazole-5-carbonyl)piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-ethoxy-3-methoxyphenyl)-N-[4-[1-(2-methylindazole-5-carbonyl)piperidin-4-yl]phenyl]acetamide is CCOc1ccc(CC(=O)Nc2ccc(C3CCN(C(=O)c4ccc5nn(C)cc5c4)CC3)cc2)cc1OC.
What is the InChIKey of 2-(4-ethoxy-3-methoxyphenyl)-N-[4-[1-(2-methylindazole-5-carbonyl)piperidin-4-yl]phenyl]acetamide?
The InChIKey is DGNFECTXDNSTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O4/c1-4-39-28-12-5-21(17-29(28)38-3)18-30(36)32-26-9-6-22(7-10-26)23-13-15-35(16-14-23)31(37)24-8-11-27-25(19-24)20-34(2)33-27/h5-12,17,19-20,23H,4,13-16,18H2,1-3H3,(H,32,36).
What are the key properties of 2-(4-ethoxy-3-methoxyphenyl)-N-[4-[1-(2-methylindazole-5-carbonyl)piperidin-4-yl]phenyl]acetamide?
2-(4-ethoxy-3-methoxyphenyl)-N-[4-[1-(2-methylindazole-5-carbonyl)piperidin-4-yl]phenyl]acetamide has a molecular weight of 526.64 g/mol, XLogP of 5.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxy-3-methoxyphenyl)-N-[4-[1-(2-methylindazole-5-carbonyl)piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 171684328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).