[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone

C24H29ClFN3O — CID 45012300

IUPAC[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C24H29ClFN3O/c1-18-2-5-21(25)16-23(18)28-12-14-29(15-13-28)24(30)20-8-10-27(11-9-20)17-19-3-6-22(26)7-4-19/h2-7,16,20H,8-15,17H2,1H3
InChIKeyXWAVNOABSYCHAQ-UHFFFAOYSA-N
MW429.97 g/mol
LogP4.35
Rot. Bonds4

About [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone

[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone (PubChem CID 45012300) has the molecular formula C24H29ClFN3O and a molecular weight of 429.97 g/mol. Its IUPAC name is [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone
PubChem CID45012300
Molecular FormulaC24H29ClFN3O
Molecular Weight429.97 g/mol
Exact Mass429.20
IUPAC Name[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone
SMILESCc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C24H29ClFN3O/c1-18-2-5-21(25)16-23(18)28-12-14-29(15-13-28)24(30)20-8-10-27(11-9-20)17-19-3-6-22(26)7-4-19/h2-7,16,20H,8-15,17H2,1H3
InChIKeyXWAVNOABSYCHAQ-UHFFFAOYSA-N
XLogP4.35
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.97
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone with MolForge

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Related Compounds

[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 93492097
[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 45014849
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone
CID 3300598
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 99817362
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(1S,2R)-1,2-dideuterio-2-(4-fluorophenyl)cyclopropyl]methanone;[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(1R,2S)-1,2-dideuterio-2-(4-fluorophenyl)cyclopropyl]methanone
CID 161376797
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120631405
1-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(4-fluorophenyl)methyl]urea
CID 26052963
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[3-[(4-fluorophenyl)methyl]-1,2-oxazol-5-yl]methanone
CID 42211682
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methanone;hydrochloride
CID 68729570
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethanone
CID 1081002
1-[(4-fluorophenyl)methyl]piperidine-4-carboxylic acid
CID 4641825
[4-(2-fluorophenyl)piperazin-1-yl]-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methanone;oxalic acid
CID 171151326

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone?
The IUPAC name of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone (CID 45012300) is [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone is Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)CC1.
What is the InChIKey of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone?
The InChIKey is XWAVNOABSYCHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClFN3O/c1-18-2-5-21(25)16-23(18)28-12-14-29(15-13-28)24(30)20-8-10-27(11-9-20)17-19-3-6-22(26)7-4-19/h2-7,16,20H,8-15,17H2,1H3.
What are the key properties of [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone?
[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone has a molecular weight of 429.97 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-methylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 45012300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).