[1-(4-aminobutanoyl)piperidin-2-yl]methylurea

C11H22N4O2 — CID 119313337

IUPAC[1-(4-aminobutanoyl)piperidin-2-yl]methylurea
SMILESNCCCC(=O)N1CCCCC1CNC(N)=O
InChIInChI=1S/C11H22N4O2/c12-6-3-5-10(16)15-7-2-1-4-9(15)8-14-11(13)17/h9H,1-8,12H2,(H3,13,14,17)
InChIKeyDAMKROJKCGQMIS-UHFFFAOYSA-N
MW242.32 g/mol
LogP-0.23
Rot. Bonds5

About [1-(4-aminobutanoyl)piperidin-2-yl]methylurea

[1-(4-aminobutanoyl)piperidin-2-yl]methylurea (PubChem CID 119313337) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is [1-(4-aminobutanoyl)piperidin-2-yl]methylurea.

Molecular Properties

Compound Name[1-(4-aminobutanoyl)piperidin-2-yl]methylurea
PubChem CID119313337
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name[1-(4-aminobutanoyl)piperidin-2-yl]methylurea
SMILESNCCCC(=O)N1CCCCC1CNC(N)=O
InChIInChI=1S/C11H22N4O2/c12-6-3-5-10(16)15-7-2-1-4-9(15)8-14-11(13)17/h9H,1-8,12H2,(H3,13,14,17)
InChIKeyDAMKROJKCGQMIS-UHFFFAOYSA-N
XLogP-0.23
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(4-aminobutanoyl)piperidin-2-yl]methyl]benzamide;hydrochloride
CID 119313514
3-amino-N-[[1-(4-cyclohexylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120580099
N-[[1-(6-aminohexanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 60944857
6-amino-1-[2-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43579311
5-[2-[(3-aminopropanoylamino)methyl]piperidin-1-yl]-N,N-dimethyl-5-oxopentanamide
CID 120578395
[1-[2-(2-methoxyethylamino)acetyl]piperidin-2-yl]methylurea
CID 119765951
6-amino-1-(2-ethylpiperidin-1-yl)hexan-1-one
CID 43266540
[(2R)-1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]piperidin-2-yl]methylurea
CID 95298528
3-amino-N-[[1-(3-cyclopentylpropanoyl)piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120579242
[1-(2-pyrrolidin-2-ylacetyl)piperidin-2-yl]methylurea
CID 119765949
3-amino-N-[[1-(4-phenylbutanoyl)piperidin-2-yl]methyl]propanamide
CID 120579429
2,6-diamino-N-[(1-tetradecanoylpiperidin-2-yl)methyl]hexanamide;dihydrochloride
CID 19778254

Frequently Asked Questions

What is the IUPAC name of [1-(4-aminobutanoyl)piperidin-2-yl]methylurea?
The IUPAC name of [1-(4-aminobutanoyl)piperidin-2-yl]methylurea (CID 119313337) is [1-(4-aminobutanoyl)piperidin-2-yl]methylurea.
What is the SMILES notation for [1-(4-aminobutanoyl)piperidin-2-yl]methylurea?
The canonical SMILES for [1-(4-aminobutanoyl)piperidin-2-yl]methylurea is NCCCC(=O)N1CCCCC1CNC(N)=O.
What is the InChIKey of [1-(4-aminobutanoyl)piperidin-2-yl]methylurea?
The InChIKey is DAMKROJKCGQMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2/c12-6-3-5-10(16)15-7-2-1-4-9(15)8-14-11(13)17/h9H,1-8,12H2,(H3,13,14,17).
What are the key properties of [1-(4-aminobutanoyl)piperidin-2-yl]methylurea?
[1-(4-aminobutanoyl)piperidin-2-yl]methylurea has a molecular weight of 242.32 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminobutanoyl)piperidin-2-yl]methylurea is sourced from PubChem (CID 119313337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).