1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-propan-2-ylurea

C17H24BrN3O2 — CID 22510691

IUPAC1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-propan-2-ylurea
SMILESCC(=O)N1CCC(N(C(=O)Nc2cccc(Br)c2)C(C)C)CC1
InChIInChI=1S/C17H24BrN3O2/c1-12(2)21(16-7-9-20(10-8-16)13(3)22)17(23)19-15-6-4-5-14(18)11-15/h4-6,11-12,16H,7-10H2,1-3H3,(H,19,23)
InChIKeyOCBQXERXKOYTAX-UHFFFAOYSA-N
MW382.30 g/mol
LogP3.70
Rot. Bonds3

About 1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-propan-2-ylurea

1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-propan-2-ylurea (PubChem CID 22510691) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-propan-2-ylurea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-propan-2-ylurea
PubChem CID22510691
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-propan-2-ylurea
SMILESCC(=O)N1CCC(N(C(=O)Nc2cccc(Br)c2)C(C)C)CC1
InChIInChI=1S/C17H24BrN3O2/c1-12(2)21(16-7-9-20(10-8-16)13(3)22)17(23)19-15-6-4-5-14(18)11-15/h4-6,11-12,16H,7-10H2,1-3H3,(H,19,23)
InChIKeyOCBQXERXKOYTAX-UHFFFAOYSA-N
XLogP3.70
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-Bromophenyl)-1,1-dimethylurea
CID 18870
3-(4-Bromophenyl)-1,1-diethylurea
CID 735609
1-((4-Bromophenyl)carbamoyl)piperidine
CID 694497
N-(3-bromophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 687138
1-(2-Bromophenyl)-3-{2-[ethyl(phenyl)amino]ethyl}urea
CID 24768236
1-Phenyl-3-(1-propionylpiperidin-4-yl)urea
CID 47379737
N-{2-[(3-bromophenyl)-phenylamino]ethyl}acetamide
CID 24750191
1-(3-Bromophenyl)-1,3-diazinane-2,4,6-trione
CID 2274691
4-(4-Bromophenylcarbamoyl)morpholine
CID 853766
1-(N-Phenylcarbamoyl)-2-methylpiperidine
CID 2857294
1-(4-Bromophenyl)-3-(2-piperidin-1-ylethyl)urea
CID 6468110
N-(3-bromophenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 4306285

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-propan-2-ylurea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-propan-2-ylurea (CID 22510691) is 1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-propan-2-ylurea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-propan-2-ylurea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-propan-2-ylurea is CC(=O)N1CCC(N(C(=O)Nc2cccc(Br)c2)C(C)C)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-propan-2-ylurea?
The InChIKey is OCBQXERXKOYTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c1-12(2)21(16-7-9-20(10-8-16)13(3)22)17(23)19-15-6-4-5-14(18)11-15/h4-6,11-12,16H,7-10H2,1-3H3,(H,19,23).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-propan-2-ylurea?
1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-propan-2-ylurea has a molecular weight of 382.30 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(3-bromophenyl)-1-propan-2-ylurea is sourced from PubChem (CID 22510691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).