1-[3-(4-methoxyphenyl)-4-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-1-yl]ethanone

C27H30N4O4 — CID 155986617

IUPAC1-[3-(4-methoxyphenyl)-4-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(C2CN(C(C)=O)CCN2C(=O)c2ccc(OC)c(NCc3ccncc3)c2)cc1
InChIInChI=1S/C27H30N4O4/c1-19(32)30-14-15-31(25(18-30)21-4-7-23(34-2)8-5-21)27(33)22-6-9-26(35-3)24(16-22)29-17-20-10-12-28-13-11-20/h4-13,16,25,29H,14-15,17-18H2,1-3H3
InChIKeyLQCPVLSBYBBTCG-UHFFFAOYSA-N
MW474.56 g/mol
LogP3.76
Rot. Bonds7

About 1-[3-(4-methoxyphenyl)-4-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-1-yl]ethanone

1-[3-(4-methoxyphenyl)-4-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-1-yl]ethanone (PubChem CID 155986617) has the molecular formula C27H30N4O4 and a molecular weight of 474.56 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)-4-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)-4-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-1-yl]ethanone
PubChem CID155986617
Molecular FormulaC27H30N4O4
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name1-[3-(4-methoxyphenyl)-4-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(C2CN(C(C)=O)CCN2C(=O)c2ccc(OC)c(NCc3ccncc3)c2)cc1
InChIInChI=1S/C27H30N4O4/c1-19(32)30-14-15-31(25(18-30)21-4-7-23(34-2)8-5-21)27(33)22-6-9-26(35-3)24(16-22)29-17-20-10-12-28-13-11-20/h4-13,16,25,29H,14-15,17-18H2,1-3H3
InChIKeyLQCPVLSBYBBTCG-UHFFFAOYSA-N
XLogP3.76
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(4-methoxyphenyl)-4-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[3-(4-methoxyphenyl)-4-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]piperazin-1-yl]ethanone
CID 132767525
1-[2-(2-methoxyphenyl)-4-[4-methyl-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-1-yl]ethanone
CID 132767523
1-[(2R)-2-(4-methoxyphenyl)-4-[4-methyl-3-(pyridin-2-ylmethylamino)benzoyl]piperazin-1-yl]ethanone
CID 129459608
1-[3-(4-methoxyphenyl)-4-(thiophene-3-carbonyl)piperazin-1-yl]ethanone
CID 110109440
4-(3,4-dimethoxybenzoyl)-N-(4-methoxyphenyl)-3-phenylpiperazine-1-carboxamide
CID 59689595
1-[4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 110109426
1-[4-[2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 109169022
4-(3,4-dimethoxybenzoyl)-N-naphthalen-1-yl-3-phenylpiperazine-1-carboxamide
CID 59690683
1-[(3S)-3-(4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 124947507
[4-(imidazo[1,2-b]pyridazin-6-ylmethyl)azepan-1-yl]-[4-methoxy-3-(pyridin-4-ylmethylamino)phenyl]methanone
CID 110150941
(3R)-1-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124972936
2-[(2S)-4-acetyl-2-(4-methoxyphenyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124969488

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)-4-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[3-(4-methoxyphenyl)-4-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-1-yl]ethanone (CID 155986617) is 1-[3-(4-methoxyphenyl)-4-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)-4-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[3-(4-methoxyphenyl)-4-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-1-yl]ethanone is COc1ccc(C2CN(C(C)=O)CCN2C(=O)c2ccc(OC)c(NCc3ccncc3)c2)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)-4-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-1-yl]ethanone?
The InChIKey is LQCPVLSBYBBTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O4/c1-19(32)30-14-15-31(25(18-30)21-4-7-23(34-2)8-5-21)27(33)22-6-9-26(35-3)24(16-22)29-17-20-10-12-28-13-11-20/h4-13,16,25,29H,14-15,17-18H2,1-3H3.
What are the key properties of 1-[3-(4-methoxyphenyl)-4-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-1-yl]ethanone?
1-[3-(4-methoxyphenyl)-4-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-1-yl]ethanone has a molecular weight of 474.56 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)-4-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 155986617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).