3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

C20H30FN3O — CID 109029809

IUPAC3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCNC1CCCCCC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H30FN3O/c21-18-9-5-6-10-19(18)23-13-15-24(16-14-23)20(25)11-12-22-17-7-3-1-2-4-8-17/h5-6,9-10,17,22H,1-4,7-8,11-16H2
InChIKeyPRSJHPVELPSGPT-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.18
Rot. Bonds5

About 3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 109029809) has the molecular formula C20H30FN3O and a molecular weight of 347.48 g/mol. Its IUPAC name is 3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID109029809
Molecular FormulaC20H30FN3O
Molecular Weight347.48 g/mol
Exact Mass347.24
IUPAC Name3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCNC1CCCCCC1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H30FN3O/c21-18-9-5-6-10-19(18)23-13-15-24(16-14-23)20(25)11-12-22-17-7-3-1-2-4-8-17/h5-6,9-10,17,22H,1-4,7-8,11-16H2
InChIKeyPRSJHPVELPSGPT-UHFFFAOYSA-N
XLogP3.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cycloheptylamino)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 109029569
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(prop-2-enylamino)propan-1-one
CID 109012047
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methoxyethylamino)propan-1-one
CID 109015201
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylpropylamino)propan-1-one
CID 109012792
4-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]butan-1-one
CID 22692254
N-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 66794476
N-cycloheptyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]acetamide
CID 113166319
3-[(4-fluorophenyl)methylamino]-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
CID 109021197
1-(4-benzylpiperidin-1-yl)-3-(cyclohexylamino)propan-1-one
CID 42695488
3-(cyclopropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60842626
N-cyclohexyl-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 859123
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-1-one
CID 109014531

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one (CID 109029809) is 3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one is O=C(CCNC1CCCCCC1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is PRSJHPVELPSGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O/c21-18-9-5-6-10-19(18)23-13-15-24(16-14-23)20(25)11-12-22-17-7-3-1-2-4-8-17/h5-6,9-10,17,22H,1-4,7-8,11-16H2.
What are the key properties of 3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one?
3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 347.48 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 109029809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).