4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide

C24H28N4O5 — CID 55628552

IUPAC4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C24H28N4O5/c1-16(2)25-22(30)24(32)28-14-12-27(13-15-28)23(31)19-6-4-5-7-20(19)26-21(29)17-8-10-18(33-3)11-9-17/h4-11,16H,12-15H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyPXQXZEDFJWVCKR-UHFFFAOYSA-N
MW452.51 g/mol
LogP1.76
Rot. Bonds5

About 4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide

4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide (PubChem CID 55628552) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide
PubChem CID55628552
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1
InChIInChI=1S/C24H28N4O5/c1-16(2)25-22(30)24(32)28-14-12-27(13-15-28)23(31)19-6-4-5-7-20(19)26-21(29)17-8-10-18(33-3)11-9-17/h4-11,16H,12-15H2,1-3H3,(H,25,30)(H,26,29)
InChIKeyPXQXZEDFJWVCKR-UHFFFAOYSA-N
XLogP1.76
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55376450
4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide
CID 119403655
N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide
CID 2193293
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-4-methoxybenzamide
CID 120659632
4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119546723
4-methoxy-N-[2-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzamide
CID 119493451
2-[(4-methoxybenzoyl)amino]-N-(3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl)benzamide
CID 2868109
4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 35858455
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
[(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]benzoate
CID 8987900
N-[2-(3-anilinopyrrolidine-1-carbonyl)phenyl]-4-methoxybenzamide
CID 56504081

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide (CID 55628552) is 4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCN(C(=O)C(=O)NC(C)C)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide?
The InChIKey is PXQXZEDFJWVCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-16(2)25-22(30)24(32)28-14-12-27(13-15-28)23(31)19-6-4-5-7-20(19)26-21(29)17-8-10-18(33-3)11-9-17/h4-11,16H,12-15H2,1-3H3,(H,25,30)(H,26,29).
What are the key properties of 4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide?
4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide has a molecular weight of 452.51 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide is sourced from PubChem (CID 55628552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).