N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide

C24H22F2N4O3 — CID 46053044

IUPACN-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cc(F)cc(F)c4)CC3)nc2)c1
InChIInChI=1S/C24H22F2N4O3/c1-33-21-4-2-3-16(13-21)23(31)28-20-5-6-22(27-15-20)29-7-9-30(10-8-29)24(32)17-11-18(25)14-19(26)12-17/h2-6,11-15H,7-10H2,1H3,(H,28,31)
InChIKeyJXOXFGILBOACAZ-UHFFFAOYSA-N
MW452.46 g/mol
LogP3.58
Rot. Bonds5

About N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide

N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide (PubChem CID 46053044) has the molecular formula C24H22F2N4O3 and a molecular weight of 452.46 g/mol. Its IUPAC name is N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
PubChem CID46053044
Molecular FormulaC24H22F2N4O3
Molecular Weight452.46 g/mol
Exact Mass452.17
IUPAC NameN-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cc(F)cc(F)c4)CC3)nc2)c1
InChIInChI=1S/C24H22F2N4O3/c1-33-21-4-2-3-16(13-21)23(31)28-20-5-6-22(27-15-20)29-7-9-30(10-8-29)24(32)17-11-18(25)14-19(26)12-17/h2-6,11-15H,7-10H2,1H3,(H,28,31)
InChIKeyJXOXFGILBOACAZ-UHFFFAOYSA-N
XLogP3.58
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.46
LogP ≤ 53.58
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
3-methoxy-N-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46053043
N-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
CID 42857434
N-[6-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
CID 42857435
N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 46041909
1-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-ethylurea
CID 46161079
N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 46157099
3,5-dimethoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 17461264
4-methoxy-N-[6-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 170855567
3-fluoro-N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014415
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983
N-[6-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 42857423

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide?
The IUPAC name of N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide (CID 46053044) is N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide.
What is the SMILES notation for N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide?
The canonical SMILES for N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cc(F)cc(F)c4)CC3)nc2)c1.
What is the InChIKey of N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide?
The InChIKey is JXOXFGILBOACAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N4O3/c1-33-21-4-2-3-16(13-21)23(31)28-20-5-6-22(27-15-20)29-7-9-30(10-8-29)24(32)17-11-18(25)14-19(26)12-17/h2-6,11-15H,7-10H2,1H3,(H,28,31).
What are the key properties of N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide?
N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide has a molecular weight of 452.46 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide is sourced from PubChem (CID 46053044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).