[(2R)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]urea

C18H26FN3O2 — CID 71919535

IUPAC[(2R)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]urea
SMILESCCC[C@@H](NC(N)=O)C(=O)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H26FN3O2/c1-2-4-16(21-18(20)24)17(23)22-9-7-13(8-10-22)11-14-5-3-6-15(19)12-14/h3,5-6,12-13,16H,2,4,7-11H2,1H3,(H3,20,21,24)/t16-/m1/s1
InChIKeyNKAWKJCGWPUPPW-MRXNPFEDSA-N
MW335.42 g/mol
LogP2.44
Rot. Bonds6

About [(2R)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]urea

[(2R)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]urea (PubChem CID 71919535) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is [(2R)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]urea.

Molecular Properties

Compound Name[(2R)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]urea
PubChem CID71919535
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name[(2R)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]urea
SMILESCCC[C@@H](NC(N)=O)C(=O)N1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C18H26FN3O2/c1-2-4-16(21-18(20)24)17(23)22-9-7-13(8-10-22)11-14-5-3-6-15(19)12-14/h3,5-6,12-13,16H,2,4,7-11H2,1H3,(H3,20,21,24)/t16-/m1/s1
InChIKeyNKAWKJCGWPUPPW-MRXNPFEDSA-N
XLogP2.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 136577855
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878
N-[1-(4-benzylpiperidin-1-yl)-1-oxopentan-2-yl]hexanamide
CID 42703671
2,4-dichloro-N-[1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55855608
N-[1-(4-aminopiperidin-1-yl)-1-oxopentan-2-yl]-2-phenylacetamide
CID 119373638
1-[3-(aminomethyl)pyrrolidin-1-yl]-4-(3-fluorophenyl)-2-methylbutan-1-one
CID 119483635
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide
CID 47053789
(2S)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 95648489
2-(cyclopropylmethylamino)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone;hydrochloride
CID 119736883
2-[4-[(3-fluorophenyl)methyl]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119181763
2,2,2-trifluoro-1-[(3S)-3-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]ethanone
CID 90117452
(3R)-3-[[ethyl(methyl)amino]methyl]-N-[(2R)-1-(3-fluorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 129378442

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]urea?
The IUPAC name of [(2R)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]urea (CID 71919535) is [(2R)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]urea.
What is the SMILES notation for [(2R)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]urea?
The canonical SMILES for [(2R)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]urea is CCC[C@@H](NC(N)=O)C(=O)N1CCC(Cc2cccc(F)c2)CC1.
What is the InChIKey of [(2R)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]urea?
The InChIKey is NKAWKJCGWPUPPW-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-2-4-16(21-18(20)24)17(23)22-9-7-13(8-10-22)11-14-5-3-6-15(19)12-14/h3,5-6,12-13,16H,2,4,7-11H2,1H3,(H3,20,21,24)/t16-/m1/s1.
What are the key properties of [(2R)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]urea?
[(2R)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]urea has a molecular weight of 335.42 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-oxopentan-2-yl]urea is sourced from PubChem (CID 71919535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).