1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea

C11H23N3O — CID 106629811

IUPAC1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea
SMILESCCN(C)C(=O)N(C)CC1CCCCN1
InChIInChI=1S/C11H23N3O/c1-4-13(2)11(15)14(3)9-10-7-5-6-8-12-10/h10,12H,4-9H2,1-3H3
InChIKeyVTYICJBQXRXOSX-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.13
Rot. Bonds3

About 1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea

1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea (PubChem CID 106629811) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea
PubChem CID106629811
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea
SMILESCCN(C)C(=O)N(C)CC1CCCCN1
InChIInChI=1S/C11H23N3O/c1-4-13(2)11(15)14(3)9-10-7-5-6-8-12-10/h10,12H,4-9H2,1-3H3
InChIKeyVTYICJBQXRXOSX-UHFFFAOYSA-N
XLogP1.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-ethyl-3-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629707
N-methyl-N-(piperidin-2-ylmethyl)cycloheptanecarboxamide
CID 106627288
N-ethyl-N-methyl-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614264
N-methyl-N-(piperidin-2-ylmethyl)nonanamide
CID 106627202
N-methyl-N-(piperidin-2-ylmethyl)-2-propoxyacetamide
CID 107940297
3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629792
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
2-methoxy-N,2-dimethyl-N-(piperidin-2-ylmethyl)propanamide
CID 106627251
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
N-(azepan-2-ylmethyl)-N-ethylethanamine
CID 4715268
N,N-dimethyl-1-piperidin-2-ylmethanamine;dihydrochloride
CID 45075192
2-cyclopropyl-N-methyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106607818

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea?
The IUPAC name of 1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea (CID 106629811) is 1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea.
What is the SMILES notation for 1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea?
The canonical SMILES for 1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea is CCN(C)C(=O)N(C)CC1CCCCN1.
What is the InChIKey of 1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea?
The InChIKey is VTYICJBQXRXOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-13(2)11(15)14(3)9-10-7-5-6-8-12-10/h10,12H,4-9H2,1-3H3.
What are the key properties of 1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea?
1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea has a molecular weight of 213.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea is sourced from PubChem (CID 106629811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).