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

C16H23N3O2 — CID 60797109

IUPAC1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESCC(=O)c1ccc(NC(=O)NCCN2CCCCC2)cc1
InChIInChI=1S/C16H23N3O2/c1-13(20)14-5-7-15(8-6-14)18-16(21)17-9-12-19-10-3-2-4-11-19/h5-8H,2-4,9-12H2,1H3,(H2,17,18,21)
InChIKeyGCTPPHOENOTZSI-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.50
Rot. Bonds5

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

1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea (PubChem CID 60797109) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea
PubChem CID60797109
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea
SMILESCC(=O)c1ccc(NC(=O)NCCN2CCCCC2)cc1
InChIInChI=1S/C16H23N3O2/c1-13(20)14-5-7-15(8-6-14)18-16(21)17-9-12-19-10-3-2-4-11-19/h5-8H,2-4,9-12H2,1H3,(H2,17,18,21)
InChIKeyGCTPPHOENOTZSI-UHFFFAOYSA-N
XLogP2.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylphenyl)-3-(4-pyrrolidin-1-ylbutyl)urea
CID 87006985
1-(4-aminophenyl)-3-(2-pyrrolidin-1-ylethyl)urea
CID 55097980
1-(4-butan-2-ylphenyl)-3-(2-piperidin-1-ylethyl)urea
CID 6469065
N-(4-acetylphenyl)-3-piperidin-1-ylpropanamide;hydrochloride
CID 155569851
2-piperidin-1-ylethyl N-(4-acetylphenyl)carbamate;hydrochloride
CID 45048307
N,N,2-trimethyl-4-(2-piperidin-1-ylethylcarbamoylamino)benzamide
CID 71874325
1-(4-bromophenyl)-3-(4-piperidin-1-ylbutyl)urea
CID 46831360
4-(methylamino)-N-(2-piperidin-1-ylethyl)benzamide
CID 62173827
1-(1,3-benzodioxol-5-yl)-3-(2-piperidin-1-ylethyl)urea
CID 6470232
1-[4-(1-aminoethyl)phenyl]-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62993591
1-(4-aminophenyl)-3-(3-pyrrolidin-1-ylpropyl)urea
CID 62991029
1-[4-(N-amino-N-methylcarbamimidoyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea
CID 142103423

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea (CID 60797109) is 1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea is CC(=O)c1ccc(NC(=O)NCCN2CCCCC2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea?
The InChIKey is GCTPPHOENOTZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13(20)14-5-7-15(8-6-14)18-16(21)17-9-12-19-10-3-2-4-11-19/h5-8H,2-4,9-12H2,1H3,(H2,17,18,21).
What are the key properties of 1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea?
1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea has a molecular weight of 289.38 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(2-piperidin-1-ylethyl)urea is sourced from PubChem (CID 60797109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).