3,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide

C27H32N4O4 — CID 5309998

IUPAC3,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(c2cccnc2)N2CCN(c3ccccc3OC)CC2)cc1OC
InChIInChI=1S/C27H32N4O4/c1-33-24-9-5-4-8-22(24)30-13-15-31(16-14-30)23(21-7-6-12-28-18-21)19-29-27(32)20-10-11-25(34-2)26(17-20)35-3/h4-12,17-18,23H,13-16,19H2,1-3H3,(H,29,32)
InChIKeyLOJJAXHAZVIYGO-UHFFFAOYSA-N
MW476.58 g/mol
LogP3.40
Rot. Bonds9

About 3,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide

3,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide (PubChem CID 5309998) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
PubChem CID5309998
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name3,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(c2cccnc2)N2CCN(c3ccccc3OC)CC2)cc1OC
InChIInChI=1S/C27H32N4O4/c1-33-24-9-5-4-8-22(24)30-13-15-31(16-14-30)23(21-7-6-12-28-18-21)19-29-27(32)20-10-11-25(34-2)26(17-20)35-3/h4-12,17-18,23H,13-16,19H2,1-3H3,(H,29,32)
InChIKeyLOJJAXHAZVIYGO-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide (CID 5309998) is 3,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide is COc1ccc(C(=O)NCC(c2cccnc2)N2CCN(c3ccccc3OC)CC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide?
The InChIKey is LOJJAXHAZVIYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-33-24-9-5-4-8-22(24)30-13-15-31(16-14-30)23(21-7-6-12-28-18-21)19-29-27(32)20-10-11-25(34-2)26(17-20)35-3/h4-12,17-18,23H,13-16,19H2,1-3H3,(H,29,32).
What are the key properties of 3,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide?
3,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide has a molecular weight of 476.58 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzamide is sourced from PubChem (CID 5309998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).