N-[1-[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]cyclopropyl]acetamide

C23H28FN3O — CID 18423134

IUPACN-[1-[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]cyclopropyl]acetamide
SMILESCC(=O)NC1(c2ccc(C(C)N3CCN(c4ccc(F)cc4)CC3)cc2)CC1
InChIInChI=1S/C23H28FN3O/c1-17(19-3-5-20(6-4-19)23(11-12-23)25-18(2)28)26-13-15-27(16-14-26)22-9-7-21(24)8-10-22/h3-10,17H,11-16H2,1-2H3,(H,25,28)
InChIKeyYYPQERZQMCMIMY-UHFFFAOYSA-N
MW381.50 g/mol
LogP3.83
Rot. Bonds5

About N-[1-[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]cyclopropyl]acetamide

N-[1-[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]cyclopropyl]acetamide (PubChem CID 18423134) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[1-[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]cyclopropyl]acetamide
PubChem CID18423134
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC NameN-[1-[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]cyclopropyl]acetamide
SMILESCC(=O)NC1(c2ccc(C(C)N3CCN(c4ccc(F)cc4)CC3)cc2)CC1
InChIInChI=1S/C23H28FN3O/c1-17(19-3-5-20(6-4-19)23(11-12-23)25-18(2)28)26-13-15-27(16-14-26)22-9-7-21(24)8-10-22/h3-10,17H,11-16H2,1-2H3,(H,25,28)
InChIKeyYYPQERZQMCMIMY-UHFFFAOYSA-N
XLogP3.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-[1-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phenyl]cyclopropyl]acetamide
CID 11566790
N-[4-(4-fluorophenyl)-1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 95802418
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960
N-[4-(4-fluorophenyl)-1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]acetamide
CID 110221431
1-[1-[4-(chloromethyl)phenyl]ethyl]-4-(4-fluorophenyl)piperazine
CID 18423146
(2S)-2-(4-fluorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 97135011
4-[4-[1-(4-propan-2-ylphenyl)ethyl]piperazin-1-yl]benzoic acid
CID 4741691
4-(4-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-1-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-4-carboxamide
CID 59527765
N-[1-[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]ethyl]acetamide
CID 11588436
(2R)-2-amino-N-[1-(4-fluorophenyl)cyclopropyl]propanamide
CID 119318315
1-[1-(4-fluorophenyl)ethyl]-4-propan-2-ylpiperazine
CID 174450752
N-[1-(4-fluorophenyl)cyclopropyl]-3-methylbutanamide
CID 71684215

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]cyclopropyl]acetamide?
The IUPAC name of N-[1-[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]cyclopropyl]acetamide (CID 18423134) is N-[1-[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]cyclopropyl]acetamide.
What is the SMILES notation for N-[1-[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]cyclopropyl]acetamide?
The canonical SMILES for N-[1-[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]cyclopropyl]acetamide is CC(=O)NC1(c2ccc(C(C)N3CCN(c4ccc(F)cc4)CC3)cc2)CC1.
What is the InChIKey of N-[1-[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]cyclopropyl]acetamide?
The InChIKey is YYPQERZQMCMIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-17(19-3-5-20(6-4-19)23(11-12-23)25-18(2)28)26-13-15-27(16-14-26)22-9-7-21(24)8-10-22/h3-10,17H,11-16H2,1-2H3,(H,25,28).
What are the key properties of N-[1-[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]cyclopropyl]acetamide?
N-[1-[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]cyclopropyl]acetamide has a molecular weight of 381.50 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]phenyl]cyclopropyl]acetamide is sourced from PubChem (CID 18423134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).