N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-phenylimidazol-1-yl)propanamide

C24H28FN5O — CID 69035673

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-phenylimidazol-1-yl)propanamide
SMILESO=C(CCn1cnc(-c2ccccc2)c1)NCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H28FN5O/c25-21-8-4-5-9-23(21)30-16-14-28(15-17-30)13-11-26-24(31)10-12-29-18-22(27-19-29)20-6-2-1-3-7-20/h1-9,18-19H,10-17H2,(H,26,31)
InChIKeyKBTVTHCSFXNMBX-UHFFFAOYSA-N
MW421.52 g/mol
LogP3.02
Rot. Bonds8

About N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-phenylimidazol-1-yl)propanamide

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-phenylimidazol-1-yl)propanamide (PubChem CID 69035673) has the molecular formula C24H28FN5O and a molecular weight of 421.52 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-phenylimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-phenylimidazol-1-yl)propanamide
PubChem CID69035673
Molecular FormulaC24H28FN5O
Molecular Weight421.52 g/mol
Exact Mass421.23
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-phenylimidazol-1-yl)propanamide
SMILESO=C(CCn1cnc(-c2ccccc2)c1)NCCN1CCN(c2ccccc2F)CC1
InChIInChI=1S/C24H28FN5O/c25-21-8-4-5-9-23(21)30-16-14-28(15-17-30)13-11-26-24(31)10-12-29-18-22(27-19-29)20-6-2-1-3-7-20/h1-9,18-19H,10-17H2,(H,26,31)
InChIKeyKBTVTHCSFXNMBX-UHFFFAOYSA-N
XLogP3.02
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 6626200
2-(4-fluorophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]acetamide
CID 42267208
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994922
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-N-methyloxamide
CID 42269225
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 109012608
N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 109014679
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 109019783
2-(2-fluorophenoxy)-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]acetamide
CID 42266897
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 740647
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid
CID 171154645
N'-(3-fluoro-4-methylphenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269193

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-phenylimidazol-1-yl)propanamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-phenylimidazol-1-yl)propanamide (CID 69035673) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-phenylimidazol-1-yl)propanamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-phenylimidazol-1-yl)propanamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-phenylimidazol-1-yl)propanamide is O=C(CCn1cnc(-c2ccccc2)c1)NCCN1CCN(c2ccccc2F)CC1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-phenylimidazol-1-yl)propanamide?
The InChIKey is KBTVTHCSFXNMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O/c25-21-8-4-5-9-23(21)30-16-14-28(15-17-30)13-11-26-24(31)10-12-29-18-22(27-19-29)20-6-2-1-3-7-20/h1-9,18-19H,10-17H2,(H,26,31).
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-phenylimidazol-1-yl)propanamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-phenylimidazol-1-yl)propanamide has a molecular weight of 421.52 g/mol, XLogP of 3.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(4-phenylimidazol-1-yl)propanamide is sourced from PubChem (CID 69035673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).