4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide

C25H32N4O4 — CID 110151192

IUPAC4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide
SMILESNC(=O)C1CN(Cc2ccccc2)CCN1C(=O)c1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C25H32N4O4/c26-24(30)23-19-28(18-20-5-2-1-3-6-20)9-10-29(23)25(31)21-7-4-8-22(17-21)33-16-13-27-11-14-32-15-12-27/h1-8,17,23H,9-16,18-19H2,(H2,26,30)
InChIKeyQJXDRKNKPHSYRZ-UHFFFAOYSA-N
MW452.56 g/mol
LogP1.21
Rot. Bonds8

About 4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide

4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide (PubChem CID 110151192) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide
PubChem CID110151192
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide
SMILESNC(=O)C1CN(Cc2ccccc2)CCN1C(=O)c1cccc(OCCN2CCOCC2)c1
InChIInChI=1S/C25H32N4O4/c26-24(30)23-19-28(18-20-5-2-1-3-6-20)9-10-29(23)25(31)21-7-4-8-22(17-21)33-16-13-27-11-14-32-15-12-27/h1-8,17,23H,9-16,18-19H2,(H2,26,30)
InChIKeyQJXDRKNKPHSYRZ-UHFFFAOYSA-N
XLogP1.21
TPSA88.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazine-2-carboxylic acid
CID 91839442
1-[(2S)-4-[3-(2-morpholin-4-ylethoxy)benzoyl]-2-phenylpiperazin-1-yl]ethanone
CID 129454849
[4-benzyl-1-(pyridine-3-carbonyl)piperazin-2-yl]-morpholin-4-ylmethanone
CID 24730509
(2S)-1-acetyl-4-benzylpiperazine-2-carboxamide
CID 95811257
1-acetyl-4-benzylpiperazine-2-carboxamide
CID 110250206
4-[[3-(2-morpholin-4-ylethoxy)phenyl]methoxy]benzoic acid
CID 68727410
1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]urea
CID 47079982
4-benzyl-1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]piperazine-2-carboxamide
CID 110151465
3-[2-(1,4-oxazepan-4-yl)ethoxy]benzenecarbothioamide
CID 62988863
[3-(2-morpholin-4-ylethoxy)phenyl]methanol
CID 7164622
(2S)-4-benzyl-1-(2-methoxybenzoyl)piperazine-2-carboxamide
CID 124952150
2-[4-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 131942057

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide?
The IUPAC name of 4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide (CID 110151192) is 4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide.
What is the SMILES notation for 4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide?
The canonical SMILES for 4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide is NC(=O)C1CN(Cc2ccccc2)CCN1C(=O)c1cccc(OCCN2CCOCC2)c1.
What is the InChIKey of 4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide?
The InChIKey is QJXDRKNKPHSYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c26-24(30)23-19-28(18-20-5-2-1-3-6-20)9-10-29(23)25(31)21-7-4-8-22(17-21)33-16-13-27-11-14-32-15-12-27/h1-8,17,23H,9-16,18-19H2,(H2,26,30).
What are the key properties of 4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide?
4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[3-(2-morpholin-4-ylethoxy)benzoyl]piperazine-2-carboxamide is sourced from PubChem (CID 110151192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).