[1-(2,4-dichloro-5-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

C19H23Cl2FN2O2 — CID 52718033

IUPAC[1-(2,4-dichloro-5-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCN(C(=O)c3cc(F)c(Cl)cc3Cl)CC2)CC1
InChIInChI=1S/C19H23Cl2FN2O2/c1-12-2-6-23(7-3-12)18(25)13-4-8-24(9-5-13)19(26)14-10-17(22)16(21)11-15(14)20/h10-13H,2-9H2,1H3
InChIKeySNHITVDGSOIREY-UHFFFAOYSA-N
MW401.31 g/mol
LogP4.24
Rot. Bonds2

About [1-(2,4-dichloro-5-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone

[1-(2,4-dichloro-5-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 52718033) has the molecular formula C19H23Cl2FN2O2 and a molecular weight of 401.31 g/mol. Its IUPAC name is [1-(2,4-dichloro-5-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2,4-dichloro-5-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
PubChem CID52718033
Molecular FormulaC19H23Cl2FN2O2
Molecular Weight401.31 g/mol
Exact Mass400.11
IUPAC Name[1-(2,4-dichloro-5-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)C2CCN(C(=O)c3cc(F)c(Cl)cc3Cl)CC2)CC1
InChIInChI=1S/C19H23Cl2FN2O2/c1-12-2-6-23(7-3-12)18(25)13-4-8-24(9-5-13)19(26)14-10-17(22)16(21)11-15(14)20/h10-13H,2-9H2,1H3
InChIKeySNHITVDGSOIREY-UHFFFAOYSA-N
XLogP4.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.31
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[1-(5-chloro-2-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 47067209
(4,5-difluoro-2-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 593464
(2,4-dichloro-5-fluorophenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371519
(4-methylpiperidin-1-yl)-[1-(2,4,5-trimethoxybenzoyl)piperidin-4-yl]methanone
CID 55949816
(2-chloro-4,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 875976
(4-chloro-2,5-difluorophenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82772050
(2-chloro-4,5-difluorophenyl)-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 29056304
(4-chloro-6-methyl-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 81225286
(2-chloro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 885823
(4-chloro-2,5-difluorophenyl)-pyrrolidin-1-ylmethanone
CID 82772045
[1-(2-aminobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 119944801
(2,4-dichloro-5-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538592

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichloro-5-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(2,4-dichloro-5-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone (CID 52718033) is [1-(2,4-dichloro-5-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(2,4-dichloro-5-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(2,4-dichloro-5-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)C2CCN(C(=O)c3cc(F)c(Cl)cc3Cl)CC2)CC1.
What is the InChIKey of [1-(2,4-dichloro-5-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is SNHITVDGSOIREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2FN2O2/c1-12-2-6-23(7-3-12)18(25)13-4-8-24(9-5-13)19(26)14-10-17(22)16(21)11-15(14)20/h10-13H,2-9H2,1H3.
What are the key properties of [1-(2,4-dichloro-5-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone?
[1-(2,4-dichloro-5-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 401.31 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichloro-5-fluorobenzoyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 52718033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).