[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methylurea

C12H24N4O3 — CID 119765951

IUPAC[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methylurea
SMILESCOCCNCC(=O)N1CCCCC1CNC(N)=O
InChIInChI=1S/C12H24N4O3/c1-19-7-5-14-9-11(17)16-6-3-2-4-10(16)8-15-12(13)18/h10,14H,2-9H2,1H3,(H3,13,15,18)
InChIKeyFRELETUNCZICMQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP-0.73
Rot. Bonds7

About [1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methylurea

[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methylurea (PubChem CID 119765951) has the molecular formula C12H24N4O3 and a molecular weight of 272.35 g/mol. Its IUPAC name is [1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methylurea.

Molecular Properties

Compound Name[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methylurea
PubChem CID119765951
Molecular FormulaC12H24N4O3
Molecular Weight272.35 g/mol
Exact Mass272.18
IUPAC Name[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methylurea
SMILESCOCCNCC(=O)N1CCCCC1CNC(N)=O
InChIInChI=1S/C12H24N4O3/c1-19-7-5-14-9-11(17)16-6-3-2-4-10(16)8-15-12(13)18/h10,14H,2-9H2,1H3,(H3,13,15,18)
InChIKeyFRELETUNCZICMQ-UHFFFAOYSA-N
XLogP-0.73
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methyl]-3-phenylurea
CID 119728833
2-(2-methoxyethylamino)-1-(2-propan-2-ylpiperidin-1-yl)ethanone
CID 119788483
[1-(4-aminobutanoyl)piperidin-2-yl]methylurea
CID 119313337
1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119766501
3-amino-N-[[1-(3-methoxypropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579984
(2S)-1-[2-(2-methoxyethylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 79281055
1-[(2R)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 124685548
2-(2-methoxyethylamino)-1-(2-propan-2-ylpyrrolidin-1-yl)ethanone
CID 79290556
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 124685569
[(2R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-2-yl]methylurea
CID 95298528
[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methylurea
CID 119765949
1-[2-(2-methoxyethylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 79282787

Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methylurea?
The IUPAC name of [1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methylurea (CID 119765951) is [1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methylurea.
What is the SMILES notation for [1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methylurea?
The canonical SMILES for [1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methylurea is COCCNCC(=O)N1CCCCC1CNC(N)=O.
What is the InChIKey of [1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methylurea?
The InChIKey is FRELETUNCZICMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O3/c1-19-7-5-14-9-11(17)16-6-3-2-4-10(16)8-15-12(13)18/h10,14H,2-9H2,1H3,(H3,13,15,18).
What are the key properties of [1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methylurea?
[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methylurea has a molecular weight of 272.35 g/mol, XLogP of -0.73, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methylurea is sourced from PubChem (CID 119765951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).