1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea

C27H33ClFN3O2 — CID 25015921

IUPAC1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C27H33ClFN3O2/c28-22-5-11-25(12-6-22)31-27(34)30-24-9-1-19(2-10-24)13-16-32-17-14-21(15-18-32)26(33)20-3-7-23(29)8-4-20/h3-8,11-12,19,21,24H,1-2,9-10,13-18H2,(H2,30,31,34)
InChIKeyFLXIPDNIWIWXJJ-UHFFFAOYSA-N
MW486.03 g/mol
LogP6.14
Rot. Bonds7

About 1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea

1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea (PubChem CID 25015921) has the molecular formula C27H33ClFN3O2 and a molecular weight of 486.03 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea
PubChem CID25015921
Molecular FormulaC27H33ClFN3O2
Molecular Weight486.03 g/mol
Exact Mass485.22
IUPAC Name1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C27H33ClFN3O2/c28-22-5-11-25(12-6-22)31-27(34)30-24-9-1-19(2-10-24)13-16-32-17-14-21(15-18-32)26(33)20-3-7-23(29)8-4-20/h3-8,11-12,19,21,24H,1-2,9-10,13-18H2,(H2,30,31,34)
InChIKeyFLXIPDNIWIWXJJ-UHFFFAOYSA-N
XLogP6.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.03
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropane-1-carboxamide
CID 66628022
N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-4-pyrrol-1-ylbenzamide
CID 66627561
N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-2-[(3R)-3-hydroxycyclohexyl]acetamide
CID 149104494
2-(4-ethoxycyclohexyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 25184916
(4-fluorophenyl)-[1-[2-[(1R,3S)-3-methylcyclopentyl]ethyl]piperidin-4-yl]methanone;methane
CID 158052051
2-(3-ethyl-3-methylcyclopentyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
CID 143759148
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
N-[4-[2-[4-(2-chloro-4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]cyclopropanecarboxamide
CID 25018367
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]-5-morpholin-4-ylpyrazine-2-carboxamide
CID 66627693
4-chloro-N-[4-[2-[4-(2-chloro-4-fluorophenoxy)piperidin-1-yl]ethyl]cyclohexyl]benzamide
CID 24952651
N-[2-(4-chlorophenyl)ethyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]acetamide
CID 78897317

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea (CID 25015921) is 1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea is O=C(Nc1ccc(Cl)cc1)NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea?
The InChIKey is FLXIPDNIWIWXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33ClFN3O2/c28-22-5-11-25(12-6-22)31-27(34)30-24-9-1-19(2-10-24)13-16-32-17-14-21(15-18-32)26(33)20-3-7-23(29)8-4-20/h3-8,11-12,19,21,24H,1-2,9-10,13-18H2,(H2,30,31,34).
What are the key properties of 1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea?
1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea has a molecular weight of 486.03 g/mol, XLogP of 6.14, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]urea is sourced from PubChem (CID 25015921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).