N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide

C24H32ClFN2O2 — CID 25018367

IUPACN-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide
SMILESO=C(NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3Cl)CC2)CC1)C1CC1
InChIInChI=1S/C24H32ClFN2O2/c25-22-15-19(26)5-8-21(22)23(29)17-10-13-28(14-11-17)12-9-16-1-6-20(7-2-16)27-24(30)18-3-4-18/h5,8,15-18,20H,1-4,6-7,9-14H2,(H,27,30)
InChIKeyOCJBLFIYLFBUBS-UHFFFAOYSA-N
MW434.98 g/mol
LogP4.85
Rot. Bonds7

About N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide

N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide (PubChem CID 25018367) has the molecular formula C24H32ClFN2O2 and a molecular weight of 434.98 g/mol. Its IUPAC name is N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide
PubChem CID25018367
Molecular FormulaC24H32ClFN2O2
Molecular Weight434.98 g/mol
Exact Mass434.21
IUPAC NameN-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide
SMILESO=C(NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3Cl)CC2)CC1)C1CC1
InChIInChI=1S/C24H32ClFN2O2/c25-22-15-19(26)5-8-21(22)23(29)17-10-13-28(14-11-17)12-9-16-1-6-20(7-2-16)27-24(30)18-3-4-18/h5,8,15-18,20H,1-4,6-7,9-14H2,(H,27,30)
InChIKeyOCJBLFIYLFBUBS-UHFFFAOYSA-N
XLogP4.85
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.98
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]oxolane-3-carboxamide
CID 25018369
(3S)-N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 66626198
tert-butyl N-[4-[2-[4-(2,4-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate
CID 66628199
2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide
CID 66628022
N-[1-(2-chloro-4-fluorobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46461988
1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea
CID 25015921
tert-butyl N-[4-[2-[4-(2,5-dichlorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]carbamate
CID 66627799
N-[4-[2-[4-(2,4-difluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-5-methylsulfonylthiophene-2-carboxamide
CID 66627354
2-[4-[2-[4-(4-fluoro-2-methylbenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 66627629
N-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide
CID 51087123
[4-[2-[4-(2,6-dichloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]carbamic acid
CID 71268437
4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide
CID 24952651

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide (CID 25018367) is N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide is O=C(NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3Cl)CC2)CC1)C1CC1.
What is the InChIKey of N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide?
The InChIKey is OCJBLFIYLFBUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClFN2O2/c25-22-15-19(26)5-8-21(22)23(29)17-10-13-28(14-11-17)12-9-16-1-6-20(7-2-16)27-24(30)18-3-4-18/h5,8,15-18,20H,1-4,6-7,9-14H2,(H,27,30).
What are the key properties of N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide?
N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide has a molecular weight of 434.98 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide is sourced from PubChem (CID 25018367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).