[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-piperidin-3-ylmethanone

C18H24FN3O2 — CID 119282090

IUPAC[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-piperidin-3-ylmethanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)C3CCCNC3)CC2)cc1F
InChIInChI=1S/C18H24FN3O2/c1-13-4-5-14(11-16(13)19)17(23)21-7-9-22(10-8-21)18(24)15-3-2-6-20-12-15/h4-5,11,15,20H,2-3,6-10,12H2,1H3
InChIKeyUKDHFAUURSHGRH-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.42
Rot. Bonds2

About [4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-piperidin-3-ylmethanone

[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-piperidin-3-ylmethanone (PubChem CID 119282090) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is [4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-piperidin-3-ylmethanone.

Molecular Properties

Compound Name[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-piperidin-3-ylmethanone
PubChem CID119282090
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-piperidin-3-ylmethanone
SMILESCc1ccc(C(=O)N2CCN(C(=O)C3CCCNC3)CC2)cc1F
InChIInChI=1S/C18H24FN3O2/c1-13-4-5-14(11-16(13)19)17(23)21-7-9-22(10-8-21)18(24)15-3-2-6-20-12-15/h4-5,11,15,20H,2-3,6-10,12H2,1H3
InChIKeyUKDHFAUURSHGRH-UHFFFAOYSA-N
XLogP1.42
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-piperidin-3-ylmethanone 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-(3-fluoro-4-methylbenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38491417
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]methanone
CID 55879784
(3-fluoro-4-methylphenyl)-pyrrolidin-3-ylmethanone
CID 107129727
[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)methanone
CID 119046124
(4-aminopiperidin-1-yl)-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119374600
N-[2-methyl-5-(thiomorpholine-4-carbonyl)phenyl]piperidine-3-carboxamide
CID 119310578
cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone
CID 110801032
[4-(1H-indole-2-carbonyl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119314153
cyclopentyl-[4-(3-methoxy-4-methylbenzoyl)piperazin-1-yl]methanone
CID 38391613
[4-(2,4-difluorobenzoyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119771196
pyrrolidin-3-yl-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 119720576
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-piperidin-3-ylmethanone?
The IUPAC name of [4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-piperidin-3-ylmethanone (CID 119282090) is [4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-piperidin-3-ylmethanone.
What is the SMILES notation for [4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-piperidin-3-ylmethanone?
The canonical SMILES for [4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-piperidin-3-ylmethanone is Cc1ccc(C(=O)N2CCN(C(=O)C3CCCNC3)CC2)cc1F.
What is the InChIKey of [4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-piperidin-3-ylmethanone?
The InChIKey is UKDHFAUURSHGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-13-4-5-14(11-16(13)19)17(23)21-7-9-22(10-8-21)18(24)15-3-2-6-20-12-15/h4-5,11,15,20H,2-3,6-10,12H2,1H3.
What are the key properties of [4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-piperidin-3-ylmethanone?
[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-piperidin-3-ylmethanone has a molecular weight of 333.41 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-piperidin-3-ylmethanone is sourced from PubChem (CID 119282090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).