N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclopropane-1-carboxamide

C23H33ClFN3O2 — CID 175603643

IUPACN-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclopropane-1-carboxamide
SMILESCC1CN(CCC2CCC(NC(=O)C3(O)CC3)CC2)CCN1c1cccc(F)c1Cl
InChIInChI=1S/C23H33ClFN3O2/c1-16-15-27(13-14-28(16)20-4-2-3-19(25)21(20)24)12-9-17-5-7-18(8-6-17)26-22(29)23(30)10-11-23/h2-4,16-18,30H,5-15H2,1H3,(H,26,29)
InChIKeyDVRQNWSGHBWIOT-UHFFFAOYSA-N
MW437.99 g/mol
LogP3.58
Rot. Bonds6

About N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclopropane-1-carboxamide

N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclopropane-1-carboxamide (PubChem CID 175603643) has the molecular formula C23H33ClFN3O2 and a molecular weight of 437.99 g/mol. Its IUPAC name is N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclopropane-1-carboxamide
PubChem CID175603643
Molecular FormulaC23H33ClFN3O2
Molecular Weight437.99 g/mol
Exact Mass437.22
IUPAC NameN-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclopropane-1-carboxamide
SMILESCC1CN(CCC2CCC(NC(=O)C3(O)CC3)CC2)CCN1c1cccc(F)c1Cl
InChIInChI=1S/C23H33ClFN3O2/c1-16-15-27(13-14-28(16)20-4-2-3-19(25)21(20)24)12-9-17-5-7-18(8-6-17)26-22(29)23(30)10-11-23/h2-4,16-18,30H,5-15H2,1H3,(H,26,29)
InChIKeyDVRQNWSGHBWIOT-UHFFFAOYSA-N
XLogP3.58
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.99
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-[4-(2,3-dichloro-4-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-2-hydroxy-2-methylpropanamide
CID 175603557
N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-3,3-difluoroazetidine-1-carboxamide
CID 156704383
3-[4-[2-[(3S)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea
CID 156704364
N-[4-[2-[(3R)-4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide
CID 156704246
4-[2-[4-(2,3-dichlorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexan-1-amine
CID 175137576
4-[2-[(3R)-4-(2,3-dichloro-4-deuteriophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexan-1-amine
CID 156704239
[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]urea
CID 11200383
N-[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]-2-methylpropanamide;hydrochloride
CID 162319855
[[[4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]cyclohexyl]amino]-hydroxymethylidene]-dimethylazanium
CID 139031870
N-[4-[2-[4-[2-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]cyclohexyl]furan-2-carboxamide
CID 156704372
N-[4-[2-[4-(1,3-benzodioxol-4-yl)piperazin-1-yl]ethyl]-3-methylcyclohexyl]-1-hydroxycyclopropane-1-carboxamide
CID 123137607
3-[4-[2-[4-(2,3-dichlorophenyl)-4,8-diazaspiro[2.6]nonan-8-yl]ethyl]cyclohexyl]-1,1-dimethylurea
CID 156704357

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclopropane-1-carboxamide?
The IUPAC name of N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclopropane-1-carboxamide (CID 175603643) is N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclopropane-1-carboxamide?
The canonical SMILES for N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclopropane-1-carboxamide is CC1CN(CCC2CCC(NC(=O)C3(O)CC3)CC2)CCN1c1cccc(F)c1Cl.
What is the InChIKey of N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclopropane-1-carboxamide?
The InChIKey is DVRQNWSGHBWIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33ClFN3O2/c1-16-15-27(13-14-28(16)20-4-2-3-19(25)21(20)24)12-9-17-5-7-18(8-6-17)26-22(29)23(30)10-11-23/h2-4,16-18,30H,5-15H2,1H3,(H,26,29).
What are the key properties of N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclopropane-1-carboxamide?
N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclopropane-1-carboxamide has a molecular weight of 437.99 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2-chloro-3-fluorophenyl)-3-methylpiperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclopropane-1-carboxamide is sourced from PubChem (CID 175603643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).