2-[(1-methylpiperidin-2-yl)methylamino]ethylurea

C10H22N4O — CID 83111623

IUPAC2-[(1-methylpiperidin-2-yl)methylamino]ethylurea
SMILESCN1CCCCC1CNCCNC(N)=O
InChIInChI=1S/C10H22N4O/c1-14-7-3-2-4-9(14)8-12-5-6-13-10(11)15/h9,12H,2-8H2,1H3,(H3,11,13,15)
InChIKeyCVGCACOZRVPCEK-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.27
Rot. Bonds5

About 2-[(1-methylpiperidin-2-yl)methylamino]ethylurea

2-[(1-methylpiperidin-2-yl)methylamino]ethylurea (PubChem CID 83111623) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-2-yl)methylamino]ethylurea.

Molecular Properties

Compound Name2-[(1-methylpiperidin-2-yl)methylamino]ethylurea
PubChem CID83111623
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name2-[(1-methylpiperidin-2-yl)methylamino]ethylurea
SMILESCN1CCCCC1CNCCNC(N)=O
InChIInChI=1S/C10H22N4O/c1-14-7-3-2-4-9(14)8-12-5-6-13-10(11)15/h9,12H,2-8H2,1H3,(H3,11,13,15)
InChIKeyCVGCACOZRVPCEK-UHFFFAOYSA-N
XLogP-0.27
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.27
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

2-amino-3-[(1-methylpiperidin-2-yl)methylamino]propanamide
CID 103244493
methyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 116655199
N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine
CID 62657344
tert-butyl N-[(1-methylpiperidin-2-yl)methyl]carbamate
CID 62196160
3-amino-3-hydroxyimino-N-[(1-methylpiperidin-2-yl)methyl]propanamide
CID 76930279
2-(N'-hydroxycarbamimidoyl)-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 76923658
[(2S)-1-methylpiperidin-2-yl]methylhydrazine
CID 45087985
N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 82684324
N-[(1-methylpyrrolidin-2-yl)methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106022346
(2S)-2-amino-N-[(1-methylpiperidin-2-yl)methyl]butanamide
CID 79023299
N-(2-aminopropyl)-2-(1-methylpiperidin-2-yl)acetamide
CID 110834402
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 131228052

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-2-yl)methylamino]ethylurea?
The IUPAC name of 2-[(1-methylpiperidin-2-yl)methylamino]ethylurea (CID 83111623) is 2-[(1-methylpiperidin-2-yl)methylamino]ethylurea.
What is the SMILES notation for 2-[(1-methylpiperidin-2-yl)methylamino]ethylurea?
The canonical SMILES for 2-[(1-methylpiperidin-2-yl)methylamino]ethylurea is CN1CCCCC1CNCCNC(N)=O.
What is the InChIKey of 2-[(1-methylpiperidin-2-yl)methylamino]ethylurea?
The InChIKey is CVGCACOZRVPCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-14-7-3-2-4-9(14)8-12-5-6-13-10(11)15/h9,12H,2-8H2,1H3,(H3,11,13,15).
What are the key properties of 2-[(1-methylpiperidin-2-yl)methylamino]ethylurea?
2-[(1-methylpiperidin-2-yl)methylamino]ethylurea has a molecular weight of 214.31 g/mol, XLogP of -0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-2-yl)methylamino]ethylurea is sourced from PubChem (CID 83111623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).