1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea

C14H18ClN3O2 — CID 71994500

IUPAC1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea
SMILESCCNC(=O)NC1CCCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C14H18ClN3O2/c1-2-16-14(20)17-11-7-5-9-18(13(11)19)12-8-4-3-6-10(12)15/h3-4,6,8,11H,2,5,7,9H2,1H3,(H2,16,17,20)
InChIKeyAGCHOGMMINQOLL-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.15
Rot. Bonds3

About 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea

1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea (PubChem CID 71994500) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea
PubChem CID71994500
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea
SMILESCCNC(=O)NC1CCCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C14H18ClN3O2/c1-2-16-14(20)17-11-7-5-9-18(13(11)19)12-8-4-3-6-10(12)15/h3-4,6,8,11H,2,5,7,9H2,1H3,(H2,16,17,20)
InChIKeyAGCHOGMMINQOLL-UHFFFAOYSA-N
XLogP2.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-3-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 154748467
1-ethyl-3-[(3R)-1-(4-methylphenyl)-2-oxopiperidin-3-yl]urea
CID 96566181
2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-phenylacetamide;hydrochloride
CID 119334565
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide
CID 136527689
1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide
CID 119334574
N-[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide
CID 95322197
(2R,4R)-N-[(3R)-1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 124701714
2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120794855
1-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-3-(pyridin-3-ylmethyl)urea
CID 56787564
(3S)-1-(2-chlorophenyl)-3-[[(2R)-1-cyclopropylpropan-2-yl]amino]piperidin-2-one
CID 97318754
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119802811
1-(2-chlorophenyl)-3-hydroxypiperidin-2-one
CID 117014113

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea?
The IUPAC name of 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea (CID 71994500) is 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea?
The canonical SMILES for 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea is CCNC(=O)NC1CCCN(c2ccccc2Cl)C1=O.
What is the InChIKey of 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea?
The InChIKey is AGCHOGMMINQOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-2-16-14(20)17-11-7-5-9-18(13(11)19)12-8-4-3-6-10(12)15/h3-4,6,8,11H,2,5,7,9H2,1H3,(H2,16,17,20).
What are the key properties of 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea?
1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea has a molecular weight of 295.77 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea is sourced from PubChem (CID 71994500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).