[1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-3-yl]methylurea

C14H26N4O2 — CID 82765009

IUPAC[1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-3-yl]methylurea
SMILESCC1(C(=O)N2CCCC(CNC(N)=O)C2)CCCC1N
InChIInChI=1S/C14H26N4O2/c1-14(6-2-5-11(14)15)12(19)18-7-3-4-10(9-18)8-17-13(16)20/h10-11H,2-9,15H2,1H3,(H3,16,17,20)
InChIKeyDZKRJTTWQYUKJZ-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.41
Rot. Bonds3

About [1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-3-yl]methylurea

[1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-3-yl]methylurea (PubChem CID 82765009) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is [1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-3-yl]methylurea.

Molecular Properties

Compound Name[1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-3-yl]methylurea
PubChem CID82765009
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name[1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-3-yl]methylurea
SMILESCC1(C(=O)N2CCCC(CNC(N)=O)C2)CCCC1N
InChIInChI=1S/C14H26N4O2/c1-14(6-2-5-11(14)15)12(19)18-7-3-4-10(9-18)8-17-13(16)20/h10-11H,2-9,15H2,1H3,(H3,16,17,20)
InChIKeyDZKRJTTWQYUKJZ-UHFFFAOYSA-N
XLogP0.41
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-4-yl]methyl]acetamide
CID 102736190
[1-(2-bromo-2-methylpropanoyl)piperidin-3-yl]methylurea
CID 114328264
(2-amino-1-methylcyclopentyl)-(1,4-oxazepan-4-yl)methanone
CID 82767352
1-(2-amino-1-methylcyclopentanecarbonyl)pyrrolidine-3-carboxylic acid
CID 82768161
[1-[(2R)-2-amino-3-methylbutanoyl]piperidin-3-yl]methylurea
CID 79013238
N-[[1-(1-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]acetamide
CID 119301801
(2-amino-1-methylcyclopentyl)-(4-ethylpiperazin-1-yl)methanone
CID 82765902
(3R)-3-[(carbamoylamino)methyl]-N-cyclohexylpiperidine-1-carboxamide
CID 94192168
[1-[3-(ethylamino)propanoyl]piperidin-3-yl]methylurea
CID 62834194
[1-(2-piperidin-3-ylacetyl)piperidin-3-yl]methylurea
CID 62674376
(2-amino-1-methylcyclopentyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 82768525
[1-[3-(cyclopropylamino)propanoyl]piperidin-3-yl]methylurea
CID 54873222

Frequently Asked Questions

What is the IUPAC name of [1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-3-yl]methylurea?
The IUPAC name of [1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-3-yl]methylurea (CID 82765009) is [1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-3-yl]methylurea.
What is the SMILES notation for [1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-3-yl]methylurea?
The canonical SMILES for [1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-3-yl]methylurea is CC1(C(=O)N2CCCC(CNC(N)=O)C2)CCCC1N.
What is the InChIKey of [1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-3-yl]methylurea?
The InChIKey is DZKRJTTWQYUKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-14(6-2-5-11(14)15)12(19)18-7-3-4-10(9-18)8-17-13(16)20/h10-11H,2-9,15H2,1H3,(H3,16,17,20).
What are the key properties of [1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-3-yl]methylurea?
[1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-3-yl]methylurea has a molecular weight of 282.39 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-3-yl]methylurea is sourced from PubChem (CID 82765009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).