N-[6-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide

C27H32N4O4 — CID 42857454

IUPACN-[6-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N3CCN(Cc4cccc(OC)c4OC)CC3)nc2)cc1
InChIInChI=1S/C27H32N4O4/c1-33-23-10-7-20(8-11-23)17-26(32)29-22-9-12-25(28-18-22)31-15-13-30(14-16-31)19-21-5-4-6-24(34-2)27(21)35-3/h4-12,18H,13-17,19H2,1-3H3,(H,29,32)
InChIKeyIMGXCDRDKFJWFW-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.61
Rot. Bonds9

About N-[6-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide

N-[6-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 42857454) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is N-[6-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[6-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
PubChem CID42857454
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC NameN-[6-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N3CCN(Cc4cccc(OC)c4OC)CC3)nc2)cc1
InChIInChI=1S/C27H32N4O4/c1-33-23-10-7-20(8-11-23)17-26(32)29-22-9-12-25(28-18-22)31-15-13-30(14-16-31)19-21-5-4-6-24(34-2)27(21)35-3/h4-12,18H,13-17,19H2,1-3H3,(H,29,32)
InChIKeyIMGXCDRDKFJWFW-UHFFFAOYSA-N
XLogP3.61
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluorophenyl)-N-[6-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]acetamide
CID 42857339
1-(4-methoxyphenyl)-3-[6-[4-[(2,3,4-trimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]urea
CID 46054074
N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 42850231
N-[6-[4-[(2,3-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-methylbenzamide
CID 42857609
N-[6-[4-[(2,3-dimethoxyphenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]-2-fluorobenzamide
CID 42857566
N-[6-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
CID 42857435
N-(6-piperidin-1-yl-3-pyridinyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17446568
2-fluoro-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850234
4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850230
4-(trifluoromethyl)-N-[6-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857329
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 113011060
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 11530247

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[6-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide (CID 42857454) is N-[6-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[6-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[6-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(N3CCN(Cc4cccc(OC)c4OC)CC3)nc2)cc1.
What is the InChIKey of N-[6-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is IMGXCDRDKFJWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-33-23-10-7-20(8-11-23)17-26(32)29-22-9-12-25(28-18-22)31-15-13-30(14-16-31)19-21-5-4-6-24(34-2)27(21)35-3/h4-12,18H,13-17,19H2,1-3H3,(H,29,32).
What are the key properties of N-[6-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide?
N-[6-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 476.58 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 42857454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).