3,4-diethoxy-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide

C27H37N3O5 — CID 43006598

IUPAC3,4-diethoxy-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCC(c2ccc(OC)cc2)N2CCCCC2)cc1OCC
InChIInChI=1S/C27H37N3O5/c1-4-34-24-14-11-21(17-25(24)35-5-2)27(32)29-19-26(31)28-18-23(30-15-7-6-8-16-30)20-9-12-22(33-3)13-10-20/h9-14,17,23H,4-8,15-16,18-19H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyBIIRLFPLGZGLLZ-UHFFFAOYSA-N
MW483.61 g/mol
LogP3.57
Rot. Bonds12

About 3,4-diethoxy-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide

3,4-diethoxy-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide (PubChem CID 43006598) has the molecular formula C27H37N3O5 and a molecular weight of 483.61 g/mol. Its IUPAC name is 3,4-diethoxy-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-diethoxy-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
PubChem CID43006598
Molecular FormulaC27H37N3O5
Molecular Weight483.61 g/mol
Exact Mass483.27
IUPAC Name3,4-diethoxy-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)NCC(c2ccc(OC)cc2)N2CCCCC2)cc1OCC
InChIInChI=1S/C27H37N3O5/c1-4-34-24-14-11-21(17-25(24)35-5-2)27(32)29-19-26(31)28-18-23(30-15-7-6-8-16-30)20-9-12-22(33-3)13-10-20/h9-14,17,23H,4-8,15-16,18-19H2,1-3H3,(H,28,31)(H,29,32)
InChIKeyBIIRLFPLGZGLLZ-UHFFFAOYSA-N
XLogP3.57
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 78784235
4-butoxy-3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 55328426
2-(2-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 86976076
3-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55770964
N-[2-(4-ethoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 112503446
2-(4-ethoxyphenoxy)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 46529074
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
3-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17427502
4-(4-ethoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
CID 55328450
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17014577
3,4-diethoxy-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzamide
CID 16931298

Frequently Asked Questions

What is the IUPAC name of 3,4-diethoxy-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-diethoxy-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide (CID 43006598) is 3,4-diethoxy-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-diethoxy-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-diethoxy-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)NCC(c2ccc(OC)cc2)N2CCCCC2)cc1OCC.
What is the InChIKey of 3,4-diethoxy-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is BIIRLFPLGZGLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O5/c1-4-34-24-14-11-21(17-25(24)35-5-2)27(32)29-19-26(31)28-18-23(30-15-7-6-8-16-30)20-9-12-22(33-3)13-10-20/h9-14,17,23H,4-8,15-16,18-19H2,1-3H3,(H,28,31)(H,29,32).
What are the key properties of 3,4-diethoxy-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide?
3,4-diethoxy-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 483.61 g/mol, XLogP of 3.57, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethoxy-N-[2-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 43006598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).