N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide

C21H23ClF2N2O2 — CID 154862650

IUPACN-[1-(4-chloro-3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C21H23ClF2N2O2/c1-14(16-4-7-18(22)19(24)12-16)25-20(27)26-10-8-21(28,9-11-26)13-15-2-5-17(23)6-3-15/h2-7,12,14,28H,8-11,13H2,1H3,(H,25,27)
InChIKeyDEXVFKDOKIYVLZ-UHFFFAOYSA-N
MW408.88 g/mol
LogP4.46
Rot. Bonds4

About N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide

N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide (PubChem CID 154862650) has the molecular formula C21H23ClF2N2O2 and a molecular weight of 408.88 g/mol. Its IUPAC name is N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide
PubChem CID154862650
Molecular FormulaC21H23ClF2N2O2
Molecular Weight408.88 g/mol
Exact Mass408.14
IUPAC NameN-[1-(4-chloro-3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide
SMILESCC(NC(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C21H23ClF2N2O2/c1-14(16-4-7-18(22)19(24)12-16)25-20(27)26-10-8-21(28,9-11-26)13-15-2-5-17(23)6-3-15/h2-7,12,14,28H,8-11,13H2,1H3,(H,25,27)
InChIKeyDEXVFKDOKIYVLZ-UHFFFAOYSA-N
XLogP4.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.88
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-N-(2,4-dichlorobenzyl)-4-hydroxypiperidine-1-carboxamide
CID 24748090
N-(2,4-dichlorobenzyl)-4-hydroxy-4-phenylpiperidine-1-carboxamide
CID 24748125
1-{5-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-2,2-diphenyl-pentyl}-3-isopropyl-urea
CID 11060510
1-(2-(1-(Bis(2-chlorophenyl)methyl)-4-hydroxypiperidin-4-yl)benzyl)-3-ethylurea
CID 44430080
6-[1-(4-Chlorophenyl)ethylamino]-1-[(4-fluorophenyl)methyl]-3-propan-2-yl-1,3,5-triazinane-2,4-dione
CID 76821409
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-chlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 129105204
N-(bis(4-fluorophenyl)methyl)-2-(4-chlorobenzyl)piperidine-1-carboxamide
CID 168300009
1-Benzyl-4-(4-chloro-2-fluorobenzyl)-4-piperidinol
CID 12733222
1-[3-[Bis(4-fluorophenyl)methylamino]propyl]-4-(4-chlorophenyl)piperidin-4-ol
CID 20360363
4-benzyl-N-(3-chloro-5-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23071940
1-[4-Amino-4-(4-fluorophenyl)butyl]-4-(4-chlorophenyl)piperidin-4-ol
CID 57093618
(4S)-1-[(1S)-1-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)-1,3-diazinan-2-one
CID 59627228

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide (CID 154862650) is N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide is CC(NC(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1)c1ccc(Cl)c(F)c1.
What is the InChIKey of N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide?
The InChIKey is DEXVFKDOKIYVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF2N2O2/c1-14(16-4-7-18(22)19(24)12-16)25-20(27)26-10-8-21(28,9-11-26)13-15-2-5-17(23)6-3-15/h2-7,12,14,28H,8-11,13H2,1H3,(H,25,27).
What are the key properties of N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide?
N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide has a molecular weight of 408.88 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-3-fluorophenyl)ethyl]-4-[(4-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 154862650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).