1-phenyl-3-(2-piperidin-3-ylethyl)urea

C14H21N3O — CID 60895337

IUPAC1-phenyl-3-(2-piperidin-3-ylethyl)urea
SMILESO=C(NCCC1CCCNC1)Nc1ccccc1
InChIInChI=1S/C14H21N3O/c18-14(17-13-6-2-1-3-7-13)16-10-8-12-5-4-9-15-11-12/h1-3,6-7,12,15H,4-5,8-11H2,(H2,16,17,18)
InChIKeyHOMOUELNJWODCL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.20
Rot. Bonds4

About 1-phenyl-3-(2-piperidin-3-ylethyl)urea

1-phenyl-3-(2-piperidin-3-ylethyl)urea (PubChem CID 60895337) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-phenyl-3-(2-piperidin-3-ylethyl)urea.

Molecular Properties

Compound Name1-phenyl-3-(2-piperidin-3-ylethyl)urea
PubChem CID60895337
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-phenyl-3-(2-piperidin-3-ylethyl)urea
SMILESO=C(NCCC1CCCNC1)Nc1ccccc1
InChIInChI=1S/C14H21N3O/c18-14(17-13-6-2-1-3-7-13)16-10-8-12-5-4-9-15-11-12/h1-3,6-7,12,15H,4-5,8-11H2,(H2,16,17,18)
InChIKeyHOMOUELNJWODCL-UHFFFAOYSA-N
XLogP2.20
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 60895338
1-(2-chlorophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 63628893
1-(3-nitrophenyl)-3-(2-piperidin-3-ylethyl)urea
CID 63628892
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020
N-phenyl-2-(2-piperidin-3-ylethoxy)acetamide
CID 62357691
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-2-phenylacetamide
CID 119555564
1-(3-cyclohexylpropyl)-3-phenylurea
CID 19835717
N-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]benzamide;hydrochloride
CID 119557882
piperidin-3-ylmethyl N-phenylcarbamate
CID 79336996
4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119557227
1-(piperidin-3-ylmethyl)-3-pyridin-4-ylurea
CID 117235935
1-(3,4-dichlorophenyl)-3-(2-pyrrolidin-3-ylethyl)urea
CID 63622133

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(2-piperidin-3-ylethyl)urea?
The IUPAC name of 1-phenyl-3-(2-piperidin-3-ylethyl)urea (CID 60895337) is 1-phenyl-3-(2-piperidin-3-ylethyl)urea.
What is the SMILES notation for 1-phenyl-3-(2-piperidin-3-ylethyl)urea?
The canonical SMILES for 1-phenyl-3-(2-piperidin-3-ylethyl)urea is O=C(NCCC1CCCNC1)Nc1ccccc1.
What is the InChIKey of 1-phenyl-3-(2-piperidin-3-ylethyl)urea?
The InChIKey is HOMOUELNJWODCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-14(17-13-6-2-1-3-7-13)16-10-8-12-5-4-9-15-11-12/h1-3,6-7,12,15H,4-5,8-11H2,(H2,16,17,18).
What are the key properties of 1-phenyl-3-(2-piperidin-3-ylethyl)urea?
1-phenyl-3-(2-piperidin-3-ylethyl)urea has a molecular weight of 247.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(2-piperidin-3-ylethyl)urea is sourced from PubChem (CID 60895337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).