4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide

C19H21N3O3 — CID 119403655

IUPAC4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCNCC2)cc1
InChIInChI=1S/C19H21N3O3/c1-25-15-8-6-14(7-9-15)18(23)21-17-5-3-2-4-16(17)19(24)22-12-10-20-11-13-22/h2-9,20H,10-13H2,1H3,(H,21,23)
InChIKeyCVXGMJANNVRFQB-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.99
Rot. Bonds4

About 4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide

4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide (PubChem CID 119403655) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide
PubChem CID119403655
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCNCC2)cc1
InChIInChI=1S/C19H21N3O3/c1-25-15-8-6-14(7-9-15)18(23)21-17-5-3-2-4-16(17)19(24)22-12-10-20-11-13-22/h2-9,20H,10-13H2,1H3,(H,21,23)
InChIKeyCVXGMJANNVRFQB-UHFFFAOYSA-N
XLogP1.99
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]benzamide
CID 55376450
N-[2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]phenyl]-4-methoxybenzamide
CID 120659632
N-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]-4-methoxybenzamide
CID 2193293
4-methoxy-N-[2-[4-[2-oxo-2-(propan-2-ylamino)acetyl]piperazine-1-carbonyl]phenyl]benzamide
CID 55628552
4-methoxy-N-[2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide;hydrochloride
CID 119546723
N-[2-[4-(2,6-dimethylphenoxy)piperidine-1-carbonyl]phenyl]-4-methoxybenzamide
CID 55859581
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
4-methoxy-N-[2-[3-(methylamino)piperidine-1-carbonyl]phenyl]benzamide
CID 119493451
4-methoxy-N-[2-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]phenyl]benzamide
CID 35858455
N-[4,5-dimethoxy-2-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119403063
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide (CID 119403655) is 4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCNCC2)cc1.
What is the InChIKey of 4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide?
The InChIKey is CVXGMJANNVRFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-25-15-8-6-14(7-9-15)18(23)21-17-5-3-2-4-16(17)19(24)22-12-10-20-11-13-22/h2-9,20H,10-13H2,1H3,(H,21,23).
What are the key properties of 4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide?
4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide has a molecular weight of 339.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(piperazine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 119403655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).