N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide

C24H24N4O3 — CID 46041970

IUPACN-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
SMILESCOc1cccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4)cn3)CC2)c1
InChIInChI=1S/C24H24N4O3/c1-31-21-9-5-8-19(16-21)24(30)28-14-12-27(13-15-28)22-11-10-20(17-25-22)26-23(29)18-6-3-2-4-7-18/h2-11,16-17H,12-15H2,1H3,(H,26,29)
InChIKeyUYZGQUSJBMDFMW-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.30
Rot. Bonds5

About N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide

N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide (PubChem CID 46041970) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
PubChem CID46041970
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
SMILESCOc1cccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4)cn3)CC2)c1
InChIInChI=1S/C24H24N4O3/c1-31-21-9-5-8-19(16-21)24(30)28-14-12-27(13-15-28)22-11-10-20(17-25-22)26-23(29)18-6-3-2-4-7-18/h2-11,16-17H,12-15H2,1H3,(H,26,29)
InChIKeyUYZGQUSJBMDFMW-UHFFFAOYSA-N
XLogP3.30
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
CID 46053044
3-methoxy-N-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46053043
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983
N-(3-benzamidophenyl)-4-(3-methoxybenzoyl)piperazine-1-carboxamide
CID 55747739
4-methoxy-N-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 170855567
N-[6-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
CID 42857435
N-[6-[4-(2-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 46041984
3,5-dimethoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 17461264
3-methoxy-N-[6-(2-oxo-3-phenylimidazolidin-1-yl)-3-pyridinyl]benzamide
CID 53187472
N-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
CID 42857434
N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 46041909
1-[6-[4-(4-methoxybenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-phenylurea
CID 83285222

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide (CID 46041970) is N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide is COc1cccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4)cn3)CC2)c1.
What is the InChIKey of N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is UYZGQUSJBMDFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-31-21-9-5-8-19(16-21)24(30)28-14-12-27(13-15-28)22-11-10-20(17-25-22)26-23(29)18-6-3-2-4-7-18/h2-11,16-17H,12-15H2,1H3,(H,26,29).
What are the key properties of N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide?
N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 416.48 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 46041970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).