1-ethyl-3-(2-piperidin-4-ylethyl)urea

C10H21N3O — CID 60903315

IUPAC1-ethyl-3-(2-piperidin-4-ylethyl)urea
SMILESCCNC(=O)NCCC1CCNCC1
InChIInChI=1S/C10H21N3O/c1-2-12-10(14)13-8-5-9-3-6-11-7-4-9/h9,11H,2-8H2,1H3,(H2,12,13,14)
InChIKeyXETCIKAUKSFRFH-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.70
Rot. Bonds4

About 1-ethyl-3-(2-piperidin-4-ylethyl)urea

1-ethyl-3-(2-piperidin-4-ylethyl)urea (PubChem CID 60903315) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 1-ethyl-3-(2-piperidin-4-ylethyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(2-piperidin-4-ylethyl)urea
PubChem CID60903315
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name1-ethyl-3-(2-piperidin-4-ylethyl)urea
SMILESCCNC(=O)NCCC1CCNCC1
InChIInChI=1S/C10H21N3O/c1-2-12-10(14)13-8-5-9-3-6-11-7-4-9/h9,11H,2-8H2,1H3,(H2,12,13,14)
InChIKeyXETCIKAUKSFRFH-UHFFFAOYSA-N
XLogP0.70
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-piperidin-4-ylethyl)acetamide;hydrochloride
CID 70084913
1,3-bis(2-cyclopropylethyl)urea
CID 68635931
1-ethyl-3-[2-[(2R)-pyrrolidin-2-yl]ethyl]urea
CID 104972281
ethane;2-methyl-N-(2-piperidin-4-ylethyl)butanamide;molecular hydrogen
CID 176985779
N-(2-piperidin-4-ylethyl)-3-propoxypropanamide
CID 62714933
1-(2-cyclobutylethyl)-3-propylurea
CID 115686559
N-(2-cyclobutylethyl)-3-piperidin-4-ylpropanamide
CID 115870643
N-(2-piperidin-4-ylethyl)cycloheptanecarboxamide
CID 62587221
tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate
CID 163448402
N-ethyl-3-[methyl(2-piperidin-4-ylethyl)amino]propanamide
CID 66272797
butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate
CID 19020689
2-ethyl-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 63624155

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-piperidin-4-ylethyl)urea?
The IUPAC name of 1-ethyl-3-(2-piperidin-4-ylethyl)urea (CID 60903315) is 1-ethyl-3-(2-piperidin-4-ylethyl)urea.
What is the SMILES notation for 1-ethyl-3-(2-piperidin-4-ylethyl)urea?
The canonical SMILES for 1-ethyl-3-(2-piperidin-4-ylethyl)urea is CCNC(=O)NCCC1CCNCC1.
What is the InChIKey of 1-ethyl-3-(2-piperidin-4-ylethyl)urea?
The InChIKey is XETCIKAUKSFRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-12-10(14)13-8-5-9-3-6-11-7-4-9/h9,11H,2-8H2,1H3,(H2,12,13,14).
What are the key properties of 1-ethyl-3-(2-piperidin-4-ylethyl)urea?
1-ethyl-3-(2-piperidin-4-ylethyl)urea has a molecular weight of 199.30 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-piperidin-4-ylethyl)urea is sourced from PubChem (CID 60903315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).