1-ethyl-1-methyl-3-(1-piperidin-4-ylethyl)urea

C11H23N3O — CID 79159834

IUPAC1-ethyl-1-methyl-3-(1-piperidin-4-ylethyl)urea
SMILESCCN(C)C(=O)NC(C)C1CCNCC1
InChIInChI=1S/C11H23N3O/c1-4-14(3)11(15)13-9(2)10-5-7-12-8-6-10/h9-10,12H,4-8H2,1-3H3,(H,13,15)
InChIKeyIAUZVDPPUSSAFS-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.04
Rot. Bonds3

About 1-ethyl-1-methyl-3-(1-piperidin-4-ylethyl)urea

1-ethyl-1-methyl-3-(1-piperidin-4-ylethyl)urea (PubChem CID 79159834) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-(1-piperidin-4-ylethyl)urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-(1-piperidin-4-ylethyl)urea
PubChem CID79159834
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1-ethyl-1-methyl-3-(1-piperidin-4-ylethyl)urea
SMILESCCN(C)C(=O)NC(C)C1CCNCC1
InChIInChI=1S/C11H23N3O/c1-4-14(3)11(15)13-9(2)10-5-7-12-8-6-10/h9-10,12H,4-8H2,1-3H3,(H,13,15)
InChIKeyIAUZVDPPUSSAFS-UHFFFAOYSA-N
XLogP1.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

2-ethyl-N-(1-piperidin-4-ylethyl)butanamide
CID 43523212
N-(1-piperidin-4-ylethyl)acetamide
CID 43523156
4-methyl-N-(1-piperidin-4-ylethyl)pentanamide
CID 43523174
2-[1-cyclohexylethylcarbamoyl(methyl)amino]acetic acid
CID 62405987
3-(2-amino-1-cyclopropyl-2-iminoethyl)-1-ethyl-1-methylurea
CID 79163516
N-(1-piperidin-4-ylethyl)cyclooctanecarboxamide
CID 65018639
3,4,4-trimethyl-N-(1-piperidin-4-ylethyl)pentanamide
CID 55260130
3-(1-cyclobutylethyl)-1,1-dimethylurea
CID 115766548
3-ethyl-1-methyl-N-(1-piperidin-4-ylethyl)pyrazole-4-carboxamide
CID 102810373
(2S)-2-[[ethyl(methyl)carbamoyl]amino]propanoic acid
CID 61194675
1-ethyl-3-[(2R)-1-hydroxypropan-2-yl]-1-methylurea
CID 79159397
N-[(1R)-1-cyclohexylethyl]piperidine-4-carboxamide
CID 81385810

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-(1-piperidin-4-ylethyl)urea?
The IUPAC name of 1-ethyl-1-methyl-3-(1-piperidin-4-ylethyl)urea (CID 79159834) is 1-ethyl-1-methyl-3-(1-piperidin-4-ylethyl)urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-(1-piperidin-4-ylethyl)urea?
The canonical SMILES for 1-ethyl-1-methyl-3-(1-piperidin-4-ylethyl)urea is CCN(C)C(=O)NC(C)C1CCNCC1.
What is the InChIKey of 1-ethyl-1-methyl-3-(1-piperidin-4-ylethyl)urea?
The InChIKey is IAUZVDPPUSSAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-4-14(3)11(15)13-9(2)10-5-7-12-8-6-10/h9-10,12H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 1-ethyl-1-methyl-3-(1-piperidin-4-ylethyl)urea?
1-ethyl-1-methyl-3-(1-piperidin-4-ylethyl)urea has a molecular weight of 213.32 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-(1-piperidin-4-ylethyl)urea is sourced from PubChem (CID 79159834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).