N-(2-fluorophenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide

C20H23FN4O2 — CID 3220954

IUPACN-(2-fluorophenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(NC(=O)Nc2ccccc2)CC1)Nc1ccccc1F
InChIInChI=1S/C20H23FN4O2/c21-17-8-4-5-9-18(17)24-19(26)14-25-12-10-16(11-13-25)23-20(27)22-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,24,26)(H2,22,23,27)
InChIKeyDBEDLPLLSNBEAP-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.05
Rot. Bonds5

About N-(2-fluorophenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide

N-(2-fluorophenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide (PubChem CID 3220954) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide
PubChem CID3220954
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC NameN-(2-fluorophenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(NC(=O)Nc2ccccc2)CC1)Nc1ccccc1F
InChIInChI=1S/C20H23FN4O2/c21-17-8-4-5-9-18(17)24-19(26)14-25-12-10-16(11-13-25)23-20(27)22-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,24,26)(H2,22,23,27)
InChIKeyDBEDLPLLSNBEAP-UHFFFAOYSA-N
XLogP3.05
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-5-cyclohexyl-2,4-dioxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-benzodiazepin-3-yl]-3-(4-fluorophenyl)urea
CID 9914672
N-phenylpiperazine-1-carboxamide hydrochloride
CID 16265344
1-Phenyl-3-(1-propionylpiperidin-4-yl)urea
CID 47379737
1-[1-(3,3-Dimethylbutyl)-5-(2-fluorophenyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-phenylurea
CID 10696354
2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-N-phenyltetrahydro-1(2H)-pyrazinecarboxamide
CID 2812685
1-Cyclohexyl-3-(4-fluorophenyl)urea
CID 292811
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-(4-fluorophenyl)-2-(piperazin-1-yl)acetamide
CID 1832909
N-[(4-fluorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 3349055
1-(1-{(2S)-1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-1-oxopropan-2-yl}piperidin-4-yl)-1,3-dihydro-2H-benzimidazol-2-one
CID 166451583
N-(4-fluorophenyl)-4-methylpiperazine-1-carboxamide
CID 851986
4-benzyl-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 732316

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide (CID 3220954) is N-(2-fluorophenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide is O=C(CN1CCC(NC(=O)Nc2ccccc2)CC1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide?
The InChIKey is DBEDLPLLSNBEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-17-8-4-5-9-18(17)24-19(26)14-25-12-10-16(11-13-25)23-20(27)22-15-6-2-1-3-7-15/h1-9,16H,10-14H2,(H,24,26)(H2,22,23,27).
What are the key properties of N-(2-fluorophenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide?
N-(2-fluorophenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[4-(phenylcarbamoylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 3220954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).