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

C18H27FN4O — CID 119380573

IUPAC1-(3-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCC(N)C1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN4O/c1-14(18(24)23-8-2-3-16(20)13-23)21-9-11-22(12-10-21)17-6-4-15(19)5-7-17/h4-7,14,16H,2-3,8-13,20H2,1H3
InChIKeyHAOLGYWPFWXLTC-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.29
Rot. Bonds3

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

1-(3-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 119380573) has the molecular formula C18H27FN4O and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID119380573
Molecular FormulaC18H27FN4O
Molecular Weight334.44 g/mol
Exact Mass334.22
IUPAC Name1-(3-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESCC(C(=O)N1CCCC(N)C1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H27FN4O/c1-14(18(24)23-8-2-3-16(20)13-23)21-9-11-22(12-10-21)17-6-4-15(19)5-7-17/h4-7,14,16H,2-3,8-13,20H2,1H3
InChIKeyHAOLGYWPFWXLTC-UHFFFAOYSA-N
XLogP1.29
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 119375838
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 110884135
(3S)-1-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]pyrrolidine-3-carboxamide
CID 94461656
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78786208
(3-aminopiperidin-1-yl)-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone
CID 119381756
(3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide
CID 32735224
(2S)-1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 9431608
(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-1-[(3R)-4-[(2S)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-1-one
CID 124778128
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 78897651
1-(2-ethylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 134062684
1-(3-aminopiperidin-1-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 119379398
N-(cyclohexylmethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 4880388

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 119380573) is 1-(3-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is CC(C(=O)N1CCCC(N)C1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is HAOLGYWPFWXLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN4O/c1-14(18(24)23-8-2-3-16(20)13-23)21-9-11-22(12-10-21)17-6-4-15(19)5-7-17/h4-7,14,16H,2-3,8-13,20H2,1H3.
What are the key properties of 1-(3-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
1-(3-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 334.44 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 119380573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).