4-[(2-methylcyclopropanecarbonyl)amino]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide

C22H24N4O3 — CID 46473729

IUPAC4-[(2-methylcyclopropanecarbonyl)amino]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide
SMILESCC1CC1C(=O)Nc1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1
InChIInChI=1S/C22H24N4O3/c1-14-12-19(14)22(29)25-16-4-2-15(3-5-16)21(28)24-17-6-8-18(9-7-17)26-11-10-23-20(27)13-26/h2-9,14,19H,10-13H2,1H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeyLEYGQSGWMSUKRV-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.47
Rot. Bonds5

About 4-[(2-methylcyclopropanecarbonyl)amino]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide

4-[(2-methylcyclopropanecarbonyl)amino]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide (PubChem CID 46473729) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[(2-methylcyclopropanecarbonyl)amino]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[(2-methylcyclopropanecarbonyl)amino]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide
PubChem CID46473729
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name4-[(2-methylcyclopropanecarbonyl)amino]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide
SMILESCC1CC1C(=O)Nc1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1
InChIInChI=1S/C22H24N4O3/c1-14-12-19(14)22(29)25-16-4-2-15(3-5-16)21(28)24-17-6-8-18(9-7-17)26-11-10-23-20(27)13-26/h2-9,14,19H,10-13H2,1H3,(H,23,27)(H,24,28)(H,25,29)
InChIKeyLEYGQSGWMSUKRV-UHFFFAOYSA-N
XLogP2.47
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 46467787
N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]-4-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 58866547
1-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrole-2-carboxamide
CID 78875733
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 46468087
5-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]furan-2-carboxamide
CID 46473375
3-hydroxy-N-[4-(3-oxopiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 51105836
4-[(2-methylcyclopropanecarbonyl)amino]-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 71896742
4-(cyclopropylamino)-3-nitro-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 46467941
N-[4-(azepan-1-yl)phenyl]-4-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55596636
2-methyl-4-[[4-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzoic acid
CID 119240303
4-chloro-N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzamide
CID 46467877
1-(furan-2-carbonyl)-N-[4-(3-oxopiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 46467939

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylcyclopropanecarbonyl)amino]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide?
The IUPAC name of 4-[(2-methylcyclopropanecarbonyl)amino]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide (CID 46473729) is 4-[(2-methylcyclopropanecarbonyl)amino]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for 4-[(2-methylcyclopropanecarbonyl)amino]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for 4-[(2-methylcyclopropanecarbonyl)amino]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide is CC1CC1C(=O)Nc1ccc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1.
What is the InChIKey of 4-[(2-methylcyclopropanecarbonyl)amino]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide?
The InChIKey is LEYGQSGWMSUKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-12-19(14)22(29)25-16-4-2-15(3-5-16)21(28)24-17-6-8-18(9-7-17)26-11-10-23-20(27)13-26/h2-9,14,19H,10-13H2,1H3,(H,23,27)(H,24,28)(H,25,29).
What are the key properties of 4-[(2-methylcyclopropanecarbonyl)amino]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide?
4-[(2-methylcyclopropanecarbonyl)amino]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide has a molecular weight of 392.46 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylcyclopropanecarbonyl)amino]-N-[4-(3-oxopiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 46473729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).