N-[1-(2-fluorophenyl)-2-phenylethyl]-4-(hydroxymethyl)piperidine-1-carboxamide

C21H25FN2O2 — CID 119041966

IUPACN-[1-(2-fluorophenyl)-2-phenylethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NC(Cc1ccccc1)c1ccccc1F)N1CCC(CO)CC1
InChIInChI=1S/C21H25FN2O2/c22-19-9-5-4-8-18(19)20(14-16-6-2-1-3-7-16)23-21(26)24-12-10-17(15-25)11-13-24/h1-9,17,20,25H,10-15H2,(H,23,26)
InChIKeyDEXWAGHRYQDCNW-UHFFFAOYSA-N
MW356.44 g/mol
LogP3.52
Rot. Bonds5

About N-[1-(2-fluorophenyl)-2-phenylethyl]-4-(hydroxymethyl)piperidine-1-carboxamide

N-[1-(2-fluorophenyl)-2-phenylethyl]-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 119041966) has the molecular formula C21H25FN2O2 and a molecular weight of 356.44 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-2-phenylethyl]-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-2-phenylethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID119041966
Molecular FormulaC21H25FN2O2
Molecular Weight356.44 g/mol
Exact Mass356.19
IUPAC NameN-[1-(2-fluorophenyl)-2-phenylethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESO=C(NC(Cc1ccccc1)c1ccccc1F)N1CCC(CO)CC1
InChIInChI=1S/C21H25FN2O2/c22-19-9-5-4-8-18(19)20(14-16-6-2-1-3-7-16)23-21(26)24-12-10-17(15-25)11-13-24/h1-9,17,20,25H,10-15H2,(H,23,26)
InChIKeyDEXWAGHRYQDCNW-UHFFFAOYSA-N
XLogP3.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(4-benzylpiperidin-1-yl)-1-(2-fluorophenyl)-3-oxopropyl]urea
CID 42953247
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide
CID 86880551
3-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]-3-phenylpropanoic acid
CID 115965790
N-[2-(2-fluorophenyl)ethyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110895026
4-(hydroxymethyl)-N-[1-(4-phenylphenyl)ethyl]piperidine-1-carboxamide
CID 110894921
4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 107860839
N-[1-[2-(difluoromethoxy)phenyl]propyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443690
4-(hydroxymethyl)-N-[1-[2-(trifluoromethyl)phenyl]propan-2-yl]piperidine-1-carboxamide
CID 84599637
[1-(2-fluorophenyl)cyclopropyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 110473638
1-[1-(2,4-difluorophenyl)butylcarbamoyl]piperidine-4-carboxylic acid
CID 122006451

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-2-phenylethyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)-2-phenylethyl]-4-(hydroxymethyl)piperidine-1-carboxamide (CID 119041966) is N-[1-(2-fluorophenyl)-2-phenylethyl]-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-2-phenylethyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-2-phenylethyl]-4-(hydroxymethyl)piperidine-1-carboxamide is O=C(NC(Cc1ccccc1)c1ccccc1F)N1CCC(CO)CC1.
What is the InChIKey of N-[1-(2-fluorophenyl)-2-phenylethyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is DEXWAGHRYQDCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O2/c22-19-9-5-4-8-18(19)20(14-16-6-2-1-3-7-16)23-21(26)24-12-10-17(15-25)11-13-24/h1-9,17,20,25H,10-15H2,(H,23,26).
What are the key properties of N-[1-(2-fluorophenyl)-2-phenylethyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
N-[1-(2-fluorophenyl)-2-phenylethyl]-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 356.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-2-phenylethyl]-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 119041966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).