1,3-diethyl-1-(piperidin-2-ylmethyl)urea

C11H23N3O — CID 106629771

IUPAC1,3-diethyl-1-(piperidin-2-ylmethyl)urea
SMILESCCNC(=O)N(CC)CC1CCCCN1
InChIInChI=1S/C11H23N3O/c1-3-12-11(15)14(4-2)9-10-7-5-6-8-13-10/h10,13H,3-9H2,1-2H3,(H,12,15)
InChIKeyMZBMBPZRNHNYJA-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.18
Rot. Bonds4

About 1,3-diethyl-1-(piperidin-2-ylmethyl)urea

1,3-diethyl-1-(piperidin-2-ylmethyl)urea (PubChem CID 106629771) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1,3-diethyl-1-(piperidin-2-ylmethyl)urea.

Molecular Properties

Compound Name1,3-diethyl-1-(piperidin-2-ylmethyl)urea
PubChem CID106629771
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1,3-diethyl-1-(piperidin-2-ylmethyl)urea
SMILESCCNC(=O)N(CC)CC1CCCCN1
InChIInChI=1S/C11H23N3O/c1-3-12-11(15)14(4-2)9-10-7-5-6-8-13-10/h10,13H,3-9H2,1-2H3,(H,12,15)
InChIKeyMZBMBPZRNHNYJA-UHFFFAOYSA-N
XLogP1.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethyl-3-(2-pyrrolidin-2-ylethyl)urea
CID 114794047
2-acetamido-N-ethyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609477
N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)cyclohexane-1-carboxamide
CID 106828141
2-cyclohexyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609305
N-ethyl-N-(piperidin-2-ylmethyl)-4-propylthiadiazole-5-carboxamide
CID 106626170
(2S)-N-ethyl-N-(piperidin-2-ylmethyl)oxolane-2-carboxamide
CID 106625979
N-ethyl-2,6-difluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626235
N-ethyl-N-(pyrrolidin-2-ylmethyl)prop-2-ynamide
CID 106608800
N-ethyl-N-(piperidin-2-ylmethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 106626265
N-ethyl-3-(oxolan-2-yl)-N-(piperidin-2-ylmethyl)propanamide
CID 106626168
2-[cyclopropyl(piperidin-2-ylmethyl)amino]-N-(ethylcarbamoyl)acetamide
CID 106631667
1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea
CID 106629811

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-1-(piperidin-2-ylmethyl)urea?
The IUPAC name of 1,3-diethyl-1-(piperidin-2-ylmethyl)urea (CID 106629771) is 1,3-diethyl-1-(piperidin-2-ylmethyl)urea.
What is the SMILES notation for 1,3-diethyl-1-(piperidin-2-ylmethyl)urea?
The canonical SMILES for 1,3-diethyl-1-(piperidin-2-ylmethyl)urea is CCNC(=O)N(CC)CC1CCCCN1.
What is the InChIKey of 1,3-diethyl-1-(piperidin-2-ylmethyl)urea?
The InChIKey is MZBMBPZRNHNYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-12-11(15)14(4-2)9-10-7-5-6-8-13-10/h10,13H,3-9H2,1-2H3,(H,12,15).
What are the key properties of 1,3-diethyl-1-(piperidin-2-ylmethyl)urea?
1,3-diethyl-1-(piperidin-2-ylmethyl)urea has a molecular weight of 213.32 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-1-(piperidin-2-ylmethyl)urea is sourced from PubChem (CID 106629771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).