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

C11H23N3O — CID 106629944

IUPAC1,3-diethyl-1-(piperidin-3-ylmethyl)urea
SMILESCCNC(=O)N(CC)CC1CCCNC1
InChIInChI=1S/C11H23N3O/c1-3-13-11(15)14(4-2)9-10-6-5-7-12-8-10/h10,12H,3-9H2,1-2H3,(H,13,15)
InChIKeyJXCCMBZWNITZDL-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.04
Rot. Bonds4

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

1,3-diethyl-1-(piperidin-3-ylmethyl)urea (PubChem CID 106629944) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1,3-diethyl-1-(piperidin-3-ylmethyl)urea.

Molecular Properties

Compound Name1,3-diethyl-1-(piperidin-3-ylmethyl)urea
PubChem CID106629944
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1,3-diethyl-1-(piperidin-3-ylmethyl)urea
SMILESCCNC(=O)N(CC)CC1CCCNC1
InChIInChI=1S/C11H23N3O/c1-3-13-11(15)14(4-2)9-10-6-5-7-12-8-10/h10,12H,3-9H2,1-2H3,(H,13,15)
InChIKeyJXCCMBZWNITZDL-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106629408
3-butyl-1-(piperidin-3-ylmethyl)-1-propylurea
CID 106630009
1-cyclopropyl-3,3-diethyl-1-(piperidin-3-ylmethyl)urea
CID 106629978
N-ethyl-3-methoxy-N-(piperidin-3-ylmethyl)propanamide
CID 106629400
N-ethyl-5-methyl-N-(piperidin-3-ylmethyl)furan-3-carboxamide
CID 106629294
3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107098424
N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 114031326
1,3-diethyl-1-(piperidin-2-ylmethyl)urea
CID 106629771
5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide
CID 106629633
N-ethyl-3,4,4-trimethyl-N-(piperidin-3-ylmethyl)pentanamide
CID 106629403
N-ethyl-N-(piperidin-3-ylmethyl)thiolane-3-carboxamide
CID 106629562
N-(piperidin-3-ylmethyl)-N-propylcyclopropanecarboxamide
CID 106628435

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-1-(piperidin-3-ylmethyl)urea?
The IUPAC name of 1,3-diethyl-1-(piperidin-3-ylmethyl)urea (CID 106629944) is 1,3-diethyl-1-(piperidin-3-ylmethyl)urea.
What is the SMILES notation for 1,3-diethyl-1-(piperidin-3-ylmethyl)urea?
The canonical SMILES for 1,3-diethyl-1-(piperidin-3-ylmethyl)urea is CCNC(=O)N(CC)CC1CCCNC1.
What is the InChIKey of 1,3-diethyl-1-(piperidin-3-ylmethyl)urea?
The InChIKey is JXCCMBZWNITZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-13-11(15)14(4-2)9-10-6-5-7-12-8-10/h10,12H,3-9H2,1-2H3,(H,13,15).
What are the key properties of 1,3-diethyl-1-(piperidin-3-ylmethyl)urea?
1,3-diethyl-1-(piperidin-3-ylmethyl)urea has a molecular weight of 213.32 g/mol, XLogP of 1.04, 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-3-ylmethyl)urea is sourced from PubChem (CID 106629944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).