N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(difluoromethoxy)-3-methoxybenzamide

C23H29F2N3O3 — CID 55633946

IUPACN-[3-(4-benzylpiperazin-1-yl)propyl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)ccc1OC(F)F
InChIInChI=1S/C23H29F2N3O3/c1-30-21-16-19(8-9-20(21)31-23(24)25)22(29)26-10-5-11-27-12-14-28(15-13-27)17-18-6-3-2-4-7-18/h2-4,6-9,16,23H,5,10-15,17H2,1H3,(H,26,29)
InChIKeyYQTMGFDYNZOGMJ-UHFFFAOYSA-N
MW433.50 g/mol
LogP3.23
Rot. Bonds10

About N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(difluoromethoxy)-3-methoxybenzamide

N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 55633946) has the molecular formula C23H29F2N3O3 and a molecular weight of 433.50 g/mol. Its IUPAC name is N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(4-benzylpiperazin-1-yl)propyl]-4-(difluoromethoxy)-3-methoxybenzamide
PubChem CID55633946
Molecular FormulaC23H29F2N3O3
Molecular Weight433.50 g/mol
Exact Mass433.22
IUPAC NameN-[3-(4-benzylpiperazin-1-yl)propyl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)ccc1OC(F)F
InChIInChI=1S/C23H29F2N3O3/c1-30-21-16-19(8-9-20(21)31-23(24)25)22(29)26-10-5-11-27-12-14-28(15-13-27)17-18-6-3-2-4-7-18/h2-4,6-9,16,23H,5,10-15,17H2,1H3,(H,26,29)
InChIKeyYQTMGFDYNZOGMJ-UHFFFAOYSA-N
XLogP3.23
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethoxy)-4-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119391951
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
N-(2-benzylsulfanylethyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 8749675
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
N-[3-(4-benzylpiperazin-1-yl)propyl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46410731
3-(difluoromethoxy)-N-[3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-4-methoxybenzamide
CID 51953209
3-(difluoromethoxy)-4-methoxy-N-(3-phenoxypropyl)benzamide
CID 55739120
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
N-[(4-benzylmorpholin-2-yl)methyl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 55740410
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 38842372
4-(difluoromethoxy)-N-(3-imidazol-1-ylpropyl)-3-methoxybenzamide
CID 51155757
3,4-dimethoxy-N-[3-[4-[(E)-3-phenylprop-2-enoyl]piperazin-1-yl]propyl]benzamide
CID 141218435

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(difluoromethoxy)-3-methoxybenzamide (CID 55633946) is N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(difluoromethoxy)-3-methoxybenzamide is COc1cc(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)ccc1OC(F)F.
What is the InChIKey of N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is YQTMGFDYNZOGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F2N3O3/c1-30-21-16-19(8-9-20(21)31-23(24)25)22(29)26-10-5-11-27-12-14-28(15-13-27)17-18-6-3-2-4-7-18/h2-4,6-9,16,23H,5,10-15,17H2,1H3,(H,26,29).
What are the key properties of N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(difluoromethoxy)-3-methoxybenzamide?
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 433.50 g/mol, XLogP of 3.23, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 55633946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).