3-methoxy-N-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]benzamide

C25H26N4O3 — CID 46053043

IUPAC3-methoxy-N-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)Cc4ccccc4)CC3)nc2)c1
InChIInChI=1S/C25H26N4O3/c1-32-22-9-5-8-20(17-22)25(31)27-21-10-11-23(26-18-21)28-12-14-29(15-13-28)24(30)16-19-6-3-2-4-7-19/h2-11,17-18H,12-16H2,1H3,(H,27,31)
InChIKeyFWCOWEOKNPZTTK-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.23
Rot. Bonds6

About 3-methoxy-N-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]benzamide

3-methoxy-N-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]benzamide (PubChem CID 46053043) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-methoxy-N-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]benzamide
PubChem CID46053043
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name3-methoxy-N-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]benzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)Cc4ccccc4)CC3)nc2)c1
InChIInChI=1S/C25H26N4O3/c1-32-22-9-5-8-20(17-22)25(31)27-21-10-11-23(26-18-21)28-12-14-29(15-13-28)24(30)16-19-6-3-2-4-7-19/h2-11,17-18H,12-16H2,1H3,(H,27,31)
InChIKeyFWCOWEOKNPZTTK-UHFFFAOYSA-N
XLogP3.23
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041970
N-[6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 46053254
N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
CID 46053044
N-[6-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
CID 42857435
N-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
CID 42857434
3-methoxy-N-[6-(2-oxo-3-phenylimidazolidin-1-yl)-3-pyridinyl]benzamide
CID 53187472
N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42850057
3-methoxy-N-[4-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]phenyl]benzamide
CID 1057837
3,5-dimethoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 17461264
N-[6-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42857423
N-[6-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42857015
N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849984

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 3-methoxy-N-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]benzamide (CID 46053043) is 3-methoxy-N-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 3-methoxy-N-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]benzamide is COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)Cc4ccccc4)CC3)nc2)c1.
What is the InChIKey of 3-methoxy-N-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]benzamide?
The InChIKey is FWCOWEOKNPZTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-32-22-9-5-8-20(17-22)25(31)27-21-10-11-23(26-18-21)28-12-14-29(15-13-28)24(30)16-19-6-3-2-4-7-19/h2-11,17-18H,12-16H2,1H3,(H,27,31).
What are the key properties of 3-methoxy-N-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]benzamide?
3-methoxy-N-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]benzamide has a molecular weight of 430.51 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 46053043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).