N-[2-(4-chlorophenyl)ethyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]acetamide

C22H26ClFN4O2 — CID 78897317

IUPACN-[2-(4-chlorophenyl)ethyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C22H26ClFN4O2/c23-17-3-1-16(2-4-17)9-12-25-21(29)15-28-13-10-20(11-14-28)27-22(30)26-19-7-5-18(24)6-8-19/h1-8,20H,9-15H2,(H,25,29)(H2,26,27,30)
InChIKeyHMZVKMKPYWTSIX-UHFFFAOYSA-N
MW432.93 g/mol
LogP3.42
Rot. Bonds7

About N-[2-(4-chlorophenyl)ethyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]acetamide

N-[2-(4-chlorophenyl)ethyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]acetamide (PubChem CID 78897317) has the molecular formula C22H26ClFN4O2 and a molecular weight of 432.93 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]acetamide
PubChem CID78897317
Molecular FormulaC22H26ClFN4O2
Molecular Weight432.93 g/mol
Exact Mass432.17
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1)NCCc1ccc(Cl)cc1
InChIInChI=1S/C22H26ClFN4O2/c23-17-3-1-16(2-4-17)9-12-25-21(29)15-28-13-10-20(11-14-28)27-22(30)26-19-7-5-18(24)6-8-19/h1-8,20H,9-15H2,(H,25,29)(H2,26,27,30)
InChIKeyHMZVKMKPYWTSIX-UHFFFAOYSA-N
XLogP3.42
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 52602062
N-[2-(4-fluorophenyl)ethyl]-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide
CID 91843173
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxamide
CID 8531156
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
2-(azepan-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 644372
N-[2-(4-chlorophenyl)ethyl]-2-piperazin-1-ylacetamide;hydrochloride
CID 17221281
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55837389
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-[2-[4-(trifluoromethyl)phenyl]ethyl]urea
CID 46682583
N-[2-(4-chlorophenyl)ethyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 78787213
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119905062
1-(4-chlorophenyl)-3-[1-(pyridin-4-ylmethyl)piperidin-4-yl]urea
CID 47049584

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]acetamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]acetamide (CID 78897317) is N-[2-(4-chlorophenyl)ethyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]acetamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]acetamide is O=C(CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]acetamide?
The InChIKey is HMZVKMKPYWTSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClFN4O2/c23-17-3-1-16(2-4-17)9-12-25-21(29)15-28-13-10-20(11-14-28)27-22(30)26-19-7-5-18(24)6-8-19/h1-8,20H,9-15H2,(H,25,29)(H2,26,27,30).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]acetamide?
N-[2-(4-chlorophenyl)ethyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]acetamide has a molecular weight of 432.93 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-[4-[(4-fluorophenyl)carbamoylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 78897317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).