[4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea

C14H20N4O2 — CID 62093224

IUPAC[4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea
SMILESCC(NC1CCCNC1=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H20N4O2/c1-9(17-12-3-2-8-16-13(12)19)10-4-6-11(7-5-10)18-14(15)20/h4-7,9,12,17H,2-3,8H2,1H3,(H,16,19)(H3,15,18,20)
InChIKeyPAHYXJYNFNCZCO-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.11
Rot. Bonds4

About [4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea

[4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea (PubChem CID 62093224) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is [4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea.

Molecular Properties

Compound Name[4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea
PubChem CID62093224
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name[4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea
SMILESCC(NC1CCCNC1=O)c1ccc(NC(N)=O)cc1
InChIInChI=1S/C14H20N4O2/c1-9(17-12-3-2-8-16-13(12)19)10-4-6-11(7-5-10)18-14(15)20/h4-7,9,12,17H,2-3,8H2,1H3,(H,16,19)(H3,15,18,20)
InChIKeyPAHYXJYNFNCZCO-UHFFFAOYSA-N
XLogP1.11
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-pyridin-4-ylethylamino)piperidin-2-one
CID 62094103
3-[1-(4-methylsulfanylphenyl)ethylamino]piperidin-2-one
CID 62094294
3-[1-(4-methoxyphenyl)ethylamino]piperidin-2-one
CID 62092478
3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]azepan-2-one
CID 81347826
3-[[(1S)-1-(4-bromophenyl)ethyl]amino]azepan-2-one
CID 81360127
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]azepan-2-one
CID 81354601
[4-[1-(pyrrolidin-3-ylamino)ethyl]phenyl]urea
CID 79731111
3-(1-naphthalen-2-ylethylamino)piperidin-2-one
CID 62092100
[4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea
CID 80554120
3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one
CID 62093203
[4-[1-(cyclobutylmethylamino)ethyl]phenyl]urea
CID 43775240
3-[1-(3,4-dichlorophenyl)ethylamino]azepan-2-one
CID 43234796

Frequently Asked Questions

What is the IUPAC name of [4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea?
The IUPAC name of [4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea (CID 62093224) is [4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea.
What is the SMILES notation for [4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea?
The canonical SMILES for [4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea is CC(NC1CCCNC1=O)c1ccc(NC(N)=O)cc1.
What is the InChIKey of [4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea?
The InChIKey is PAHYXJYNFNCZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9(17-12-3-2-8-16-13(12)19)10-4-6-11(7-5-10)18-14(15)20/h4-7,9,12,17H,2-3,8H2,1H3,(H,16,19)(H3,15,18,20).
What are the key properties of [4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea?
[4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea has a molecular weight of 276.34 g/mol, XLogP of 1.11, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea is sourced from PubChem (CID 62093224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).