4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide

C22H25N5O4 — CID 166208512

IUPAC4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(C(N)=O)cc3)CC2)cc1
InChIInChI=1S/C22H25N5O4/c23-19(28)15-1-5-17(6-2-15)21(30)25-9-10-26-11-13-27(14-12-26)22(31)18-7-3-16(4-8-18)20(24)29/h1-8H,9-14H2,(H2,23,28)(H2,24,29)(H,25,30)
InChIKeyKPKCXTPHHXBUOI-UHFFFAOYSA-N
MW423.47 g/mol
LogP0.07
Rot. Bonds7

About 4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide

4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide (PubChem CID 166208512) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide
PubChem CID166208512
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(C(N)=O)cc3)CC2)cc1
InChIInChI=1S/C22H25N5O4/c23-19(28)15-1-5-17(6-2-15)21(30)25-9-10-26-11-13-27(14-12-26)22(31)18-7-3-16(4-8-18)20(24)29/h1-8H,9-14H2,(H2,23,28)(H2,24,29)(H,25,30)
InChIKeyKPKCXTPHHXBUOI-UHFFFAOYSA-N
XLogP0.07
TPSA138.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 138111121
4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 41136027
2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]acetic acid
CID 43521327
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-3-fluorobenzamide
CID 110397771
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 41135956
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200423
4-fluoro-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyl]benzamide
CID 29200089
4-(aminomethyl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]benzamide
CID 119901794
4-carbamothioyl-N-(2-thiomorpholin-4-ylethyl)benzamide
CID 106325595
4-[4-(2-oxo-2-piperidin-1-ylethyl)piperazine-1-carbonyl]benzamide
CID 32693348
3-[2-(4-benzoylpiperazin-1-yl)ethyl]-1,1-dimethylurea
CID 110397809

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide (CID 166208512) is 4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(C(N)=O)cc3)CC2)cc1.
What is the InChIKey of 4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide?
The InChIKey is KPKCXTPHHXBUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c23-19(28)15-1-5-17(6-2-15)21(30)25-9-10-26-11-13-27(14-12-26)22(31)18-7-3-16(4-8-18)20(24)29/h1-8H,9-14H2,(H2,23,28)(H2,24,29)(H,25,30).
What are the key properties of 4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide?
4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide has a molecular weight of 423.47 g/mol, XLogP of 0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[4-(4-carbamoylbenzoyl)piperazin-1-yl]ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 166208512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).