N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide

C21H23F2N3O3 — CID 41135956

IUPACN-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C21H23F2N3O3/c1-29-17-5-2-15(3-6-17)20(27)24-8-9-25-10-12-26(13-11-25)21(28)16-4-7-18(22)19(23)14-16/h2-7,14H,8-13H2,1H3,(H,24,27)
InChIKeyLDWQXVJPEOBJCT-UHFFFAOYSA-N
MW403.43 g/mol
LogP2.16
Rot. Bonds6

About N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide

N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide (PubChem CID 41135956) has the molecular formula C21H23F2N3O3 and a molecular weight of 403.43 g/mol. Its IUPAC name is N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
PubChem CID41135956
Molecular FormulaC21H23F2N3O3
Molecular Weight403.43 g/mol
Exact Mass403.17
IUPAC NameN-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1
InChIInChI=1S/C21H23F2N3O3/c1-29-17-5-2-15(3-6-17)20(27)24-8-9-25-10-12-26(13-11-25)21(28)16-4-7-18(22)19(23)14-16/h2-7,14H,8-13H2,1H3,(H,24,27)
InChIKeyLDWQXVJPEOBJCT-UHFFFAOYSA-N
XLogP2.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 41136027
4-methoxy-N-[2-(4-propanoylpiperazin-1-yl)ethyl]benzamide
CID 29207362
N-[2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 29207413
N-[2-[4-(2,6-dimethoxybenzoyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200423
N-[2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-4-methoxybenzamide
CID 41136212
[2-[4-[2-[(4-methoxybenzoyl)amino]ethyl]piperazine-1-carbonyl]phenyl] acetate
CID 41136272
4-methoxy-N-[2-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]ethyl]benzamide
CID 119883434
N-[2-[4-(3-amino-2-methylbutanoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide;dihydrochloride
CID 120503890
N-[2-(4-benzylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 39985567
4-methoxy-N-[2-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethyl]benzamide
CID 139726509
4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethyl]benzamide;hydrochloride
CID 138111121
4-(3,4-difluorophenoxy)-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119446997

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide?
The IUPAC name of N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide (CID 41135956) is N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide is COc1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1.
What is the InChIKey of N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide?
The InChIKey is LDWQXVJPEOBJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O3/c1-29-17-5-2-15(3-6-17)20(27)24-8-9-25-10-12-26(13-11-25)21(28)16-4-7-18(22)19(23)14-16/h2-7,14H,8-13H2,1H3,(H,24,27).
What are the key properties of N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide?
N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide has a molecular weight of 403.43 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]ethyl]-4-methoxybenzamide is sourced from PubChem (CID 41135956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).