[1-[3-(ethylamino)propanoyl]piperidin-3-yl]methylurea

C12H24N4O2 — CID 62834194

IUPAC[1-[3-(ethylamino)propanoyl]piperidin-3-yl]methylurea
SMILESCCNCCC(=O)N1CCCC(CNC(N)=O)C1
InChIInChI=1S/C12H24N4O2/c1-2-14-6-5-11(17)16-7-3-4-10(9-16)8-15-12(13)18/h10,14H,2-9H2,1H3,(H3,13,15,18)
InChIKeyZNKYRZVRBAHRBU-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.11
Rot. Bonds6

About [1-[3-(ethylamino)propanoyl]piperidin-3-yl]methylurea

[1-[3-(ethylamino)propanoyl]piperidin-3-yl]methylurea (PubChem CID 62834194) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is [1-[3-(ethylamino)propanoyl]piperidin-3-yl]methylurea.

Molecular Properties

Compound Name[1-[3-(ethylamino)propanoyl]piperidin-3-yl]methylurea
PubChem CID62834194
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name[1-[3-(ethylamino)propanoyl]piperidin-3-yl]methylurea
SMILESCCNCCC(=O)N1CCCC(CNC(N)=O)C1
InChIInChI=1S/C12H24N4O2/c1-2-14-6-5-11(17)16-7-3-4-10(9-16)8-15-12(13)18/h10,14H,2-9H2,1H3,(H3,13,15,18)
InChIKeyZNKYRZVRBAHRBU-UHFFFAOYSA-N
XLogP-0.11
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-[3-(cyclopropylamino)propanoyl]piperidin-3-yl]methylurea
CID 54873222
[1-(2-piperidin-3-ylacetyl)piperidin-3-yl]methylurea
CID 62674376
[1-(2-bromo-2-methylpropanoyl)piperidin-3-yl]methylurea
CID 114328264
3-(ethylaminomethyl)piperidine-1-carboxylic acid
CID 146302928
[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea
CID 79013238
(1-formylpiperidin-3-yl)methylurea
CID 64990728
(3R)-3-[(carbamoylamino)methyl]-N-cyclohexylpiperidine-1-carboxamide
CID 94192168
N-[3-[3-(hydroxymethyl)piperidin-1-yl]-3-oxopropyl]acetamide
CID 43422465
[1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-3-yl]methylurea
CID 82765009
1-[3-(methylaminomethyl)piperidin-1-yl]-3-sulfanylpropan-1-one
CID 107024102
2-[1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidin-3-yl]acetic acid
CID 62689900
[1-(3-amino-4-methylbenzoyl)piperidin-3-yl]methylurea
CID 60964314

Frequently Asked Questions

What is the IUPAC name of [1-[3-(ethylamino)propanoyl]piperidin-3-yl]methylurea?
The IUPAC name of [1-[3-(ethylamino)propanoyl]piperidin-3-yl]methylurea (CID 62834194) is [1-[3-(ethylamino)propanoyl]piperidin-3-yl]methylurea.
What is the SMILES notation for [1-[3-(ethylamino)propanoyl]piperidin-3-yl]methylurea?
The canonical SMILES for [1-[3-(ethylamino)propanoyl]piperidin-3-yl]methylurea is CCNCCC(=O)N1CCCC(CNC(N)=O)C1.
What is the InChIKey of [1-[3-(ethylamino)propanoyl]piperidin-3-yl]methylurea?
The InChIKey is ZNKYRZVRBAHRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-2-14-6-5-11(17)16-7-3-4-10(9-16)8-15-12(13)18/h10,14H,2-9H2,1H3,(H3,13,15,18).
What are the key properties of [1-[3-(ethylamino)propanoyl]piperidin-3-yl]methylurea?
[1-[3-(ethylamino)propanoyl]piperidin-3-yl]methylurea has a molecular weight of 256.35 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(ethylamino)propanoyl]piperidin-3-yl]methylurea is sourced from PubChem (CID 62834194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).