1-ethyl-3-(4-piperidin-1-ylphenyl)urea

C14H21N3O — CID 108890460

IUPAC1-ethyl-3-(4-piperidin-1-ylphenyl)urea
SMILESCCNC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C14H21N3O/c1-2-15-14(18)16-12-6-8-13(9-7-12)17-10-4-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)
InChIKeyBUJRFWIVXSJSOQ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.82
Rot. Bonds3

About 1-ethyl-3-(4-piperidin-1-ylphenyl)urea

1-ethyl-3-(4-piperidin-1-ylphenyl)urea (PubChem CID 108890460) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-ethyl-3-(4-piperidin-1-ylphenyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(4-piperidin-1-ylphenyl)urea
PubChem CID108890460
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-ethyl-3-(4-piperidin-1-ylphenyl)urea
SMILESCCNC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C14H21N3O/c1-2-15-14(18)16-12-6-8-13(9-7-12)17-10-4-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18)
InChIKeyBUJRFWIVXSJSOQ-UHFFFAOYSA-N
XLogP2.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-[(4-piperidin-1-ylphenyl)carbamoylamino]acetamide
CID 86986680
1-(2-ethyl-2-hydroxybutyl)-3-(4-piperidin-1-ylphenyl)urea
CID 111103418
1-(cyclohexylmethyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108902937
2-methyl-3-[(4-pyrrolidin-1-ylphenyl)carbamoylamino]propanoic acid
CID 63179912
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide
CID 17463645
N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47226004
N-ethyl-2-(4-piperidin-1-ylanilino)propanamide
CID 60673103
N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108505148
1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylphenyl)urea
CID 108992265
1-(4-piperidin-1-ylphenyl)-3-pyridin-4-ylurea
CID 110706498
ethyl [4-[(4-piperidin-1-ylphenyl)carbamoylamino]phenyl] carbonate
CID 108865631

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-piperidin-1-ylphenyl)urea?
The IUPAC name of 1-ethyl-3-(4-piperidin-1-ylphenyl)urea (CID 108890460) is 1-ethyl-3-(4-piperidin-1-ylphenyl)urea.
What is the SMILES notation for 1-ethyl-3-(4-piperidin-1-ylphenyl)urea?
The canonical SMILES for 1-ethyl-3-(4-piperidin-1-ylphenyl)urea is CCNC(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-ethyl-3-(4-piperidin-1-ylphenyl)urea?
The InChIKey is BUJRFWIVXSJSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-15-14(18)16-12-6-8-13(9-7-12)17-10-4-3-5-11-17/h6-9H,2-5,10-11H2,1H3,(H2,15,16,18).
What are the key properties of 1-ethyl-3-(4-piperidin-1-ylphenyl)urea?
1-ethyl-3-(4-piperidin-1-ylphenyl)urea has a molecular weight of 247.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-piperidin-1-ylphenyl)urea is sourced from PubChem (CID 108890460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).