N-(2-fluorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide

C19H22FN3O — CID 771436

IUPACN-(2-fluorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)Nc1ccccc1F
InChIInChI=1S/C19H22FN3O/c20-17-8-4-5-9-18(17)21-19(24)10-11-22-12-14-23(15-13-22)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,24)
InChIKeyJAKLKHIASZNQMS-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.98
Rot. Bonds5

About N-(2-fluorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide

N-(2-fluorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide (PubChem CID 771436) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
PubChem CID771436
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC NameN-(2-fluorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
SMILESO=C(CCN1CCN(c2ccccc2)CC1)Nc1ccccc1F
InChIInChI=1S/C19H22FN3O/c20-17-8-4-5-9-18(17)21-19(24)10-11-22-12-14-23(15-13-22)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,24)
InChIKeyJAKLKHIASZNQMS-UHFFFAOYSA-N
XLogP2.98
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(N-Propionylaniline)piperidine
CID 259381
Phenampromide
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N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 649412
Ethanaminium, N,N-dimethyl-2-oxo-N-(2-oxo-2-(phenylamino)ethyl)-2-(phenylamino)-, chloride (1:1)
CID 13966
1-Cyclopropanecarbonyl-4-(4-fluorophenyl)piperazine
CID 757898
2-(4-phenylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278179
N,N'-bis(2-fluorophenyl)propanediamide
CID 2388902
1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one
CID 736269
Octacaine
CID 26329
N-(4-fluorophenyl)-2-(pyrrolidin-1-yl)acetamide
CID 934518
Ethyl 4-{3-[(3,4-difluorophenyl)amino]-3-oxopropyl}piperazine-1-carboxylate
CID 719532

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide (CID 771436) is N-(2-fluorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide is O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
The InChIKey is JAKLKHIASZNQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-17-8-4-5-9-18(17)21-19(24)10-11-22-12-14-23(15-13-22)16-6-2-1-3-7-16/h1-9H,10-15H2,(H,21,24).
What are the key properties of N-(2-fluorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide?
N-(2-fluorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide has a molecular weight of 327.40 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-(4-phenylpiperazin-1-yl)propanamide is sourced from PubChem (CID 771436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).