1-[(3S)-1-methyl-2-oxopiperidin-3-yl]-3-(6-phenoxy-2-pyridinyl)urea

C18H20N4O3 — CID 164635904

IUPAC1-[(3S)-1-methyl-2-oxopiperidin-3-yl]-3-(6-phenoxy-2-pyridinyl)urea
SMILESCN1CCC[C@H](NC(=O)Nc2cccc(Oc3ccccc3)n2)C1=O
InChIInChI=1S/C18H20N4O3/c1-22-12-6-9-14(17(22)23)19-18(24)21-15-10-5-11-16(20-15)25-13-7-3-2-4-8-13/h2-5,7-8,10-11,14H,6,9,12H2,1H3,(H2,19,20,21,24)/t14-/m0/s1
InChIKeyUHKMRMMSXUKTES-AWEZNQCLSA-N
MW340.38 g/mol
LogP2.62
Rot. Bonds4

About 1-[(3S)-1-methyl-2-oxopiperidin-3-yl]-3-(6-phenoxy-2-pyridinyl)urea

1-[(3S)-1-methyl-2-oxopiperidin-3-yl]-3-(6-phenoxy-2-pyridinyl)urea (PubChem CID 164635904) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[(3S)-1-methyl-2-oxopiperidin-3-yl]-3-(6-phenoxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-[(3S)-1-methyl-2-oxopiperidin-3-yl]-3-(6-phenoxy-2-pyridinyl)urea
PubChem CID164635904
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name1-[(3S)-1-methyl-2-oxopiperidin-3-yl]-3-(6-phenoxy-2-pyridinyl)urea
SMILESCN1CCC[C@H](NC(=O)Nc2cccc(Oc3ccccc3)n2)C1=O
InChIInChI=1S/C18H20N4O3/c1-22-12-6-9-14(17(22)23)19-18(24)21-15-10-5-11-16(20-15)25-13-7-3-2-4-8-13/h2-5,7-8,10-11,14H,6,9,12H2,1H3,(H2,19,20,21,24)/t14-/m0/s1
InChIKeyUHKMRMMSXUKTES-AWEZNQCLSA-N
XLogP2.62
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 3237037
(2S)-2-(carbamoylamino)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-methylpentanamide
CID 57404708
(2S)-2-acetamido-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-4-methylpentanamide
CID 57407169
N-[(5S)-6-[4-[6-(2-fluoroethoxy)-2-pyridinyl]piperazin-1-yl]-6-oxo-5-[(2-phenylacetyl)amino]hexyl]prop-2-enamide
CID 145967717
US9656959, Example 11
CID 57404707
(2R)-N-[3-(3-aminobutyl)-3-methyl-2-oxo-1-phenylpyrido[2,3-b][1,4]oxazin-6-yl]-2-(methylamino)propanamide
CID 121225180
US10343992, Example 26
CID 122590618
1-Piperazinepropanamide, N-(2-aminophenyl)-4-(6-methoxy-2-pyridinyl)-, dihydrochloride
CID 11971552
N-Cyclopentylcarbamoylmethyl-N-(4-ethoxy-phenyl)-N'-pyridin-2-yl-succinamide
CID 653163
Pentanedioic acid cyclohexylcarbamoylmethyl-(3-methoxy-phenyl)-amide pyridin-2-ylamide
CID 3197333
Pentanedioic acid cyclopentylcarbamoylmethyl-(3-methoxy-phenyl)-amide pyridin-2-ylamide
CID 3197401
N-(4-Ethoxy-phenyl)-N-(isopropylcarbamoyl-methyl)-N'-pyridin-2-yl-succinamide
CID 3204974

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-methyl-2-oxopiperidin-3-yl]-3-(6-phenoxy-2-pyridinyl)urea?
The IUPAC name of 1-[(3S)-1-methyl-2-oxopiperidin-3-yl]-3-(6-phenoxy-2-pyridinyl)urea (CID 164635904) is 1-[(3S)-1-methyl-2-oxopiperidin-3-yl]-3-(6-phenoxy-2-pyridinyl)urea.
What is the SMILES notation for 1-[(3S)-1-methyl-2-oxopiperidin-3-yl]-3-(6-phenoxy-2-pyridinyl)urea?
The canonical SMILES for 1-[(3S)-1-methyl-2-oxopiperidin-3-yl]-3-(6-phenoxy-2-pyridinyl)urea is CN1CCC[C@H](NC(=O)Nc2cccc(Oc3ccccc3)n2)C1=O.
What is the InChIKey of 1-[(3S)-1-methyl-2-oxopiperidin-3-yl]-3-(6-phenoxy-2-pyridinyl)urea?
The InChIKey is UHKMRMMSXUKTES-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-22-12-6-9-14(17(22)23)19-18(24)21-15-10-5-11-16(20-15)25-13-7-3-2-4-8-13/h2-5,7-8,10-11,14H,6,9,12H2,1H3,(H2,19,20,21,24)/t14-/m0/s1.
What are the key properties of 1-[(3S)-1-methyl-2-oxopiperidin-3-yl]-3-(6-phenoxy-2-pyridinyl)urea?
1-[(3S)-1-methyl-2-oxopiperidin-3-yl]-3-(6-phenoxy-2-pyridinyl)urea has a molecular weight of 340.38 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-methyl-2-oxopiperidin-3-yl]-3-(6-phenoxy-2-pyridinyl)urea is sourced from PubChem (CID 164635904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).