1-(1-acetylpiperidin-4-yl)-1-cyclopentyl-3-(4-ethoxyphenyl)urea

C21H31N3O3 — CID 5001476

IUPAC1-(1-acetylpiperidin-4-yl)-1-cyclopentyl-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)N(C2CCCC2)C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C21H31N3O3/c1-3-27-20-10-8-17(9-11-20)22-21(26)24(18-6-4-5-7-18)19-12-14-23(15-13-19)16(2)25/h8-11,18-19H,3-7,12-15H2,1-2H3,(H,22,26)
InChIKeyCZVAIRNTPVZODN-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.87
Rot. Bonds5

About 1-(1-acetylpiperidin-4-yl)-1-cyclopentyl-3-(4-ethoxyphenyl)urea

1-(1-acetylpiperidin-4-yl)-1-cyclopentyl-3-(4-ethoxyphenyl)urea (PubChem CID 5001476) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-1-cyclopentyl-3-(4-ethoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-1-cyclopentyl-3-(4-ethoxyphenyl)urea
PubChem CID5001476
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-(1-acetylpiperidin-4-yl)-1-cyclopentyl-3-(4-ethoxyphenyl)urea
SMILESCCOc1ccc(NC(=O)N(C2CCCC2)C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C21H31N3O3/c1-3-27-20-10-8-17(9-11-20)22-21(26)24(18-6-4-5-7-18)19-12-14-23(15-13-19)16(2)25/h8-11,18-19H,3-7,12-15H2,1-2H3,(H,22,26)
InChIKeyCZVAIRNTPVZODN-UHFFFAOYSA-N
XLogP3.87
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 108508300
N,N-dicyclohexyl-4-ethoxybenzamide
CID 4227580
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504516
1-[(4-ethoxyphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61182203
1-cyclohexyl-3-(4-ethoxyphenyl)-1-[(1-methylindol-3-yl)methyl]urea
CID 6622002
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-ethoxyphenyl)azetidine-1-carboxamide
CID 146078584
1-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 23607540
2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230278
2-(cyclopentylamino)-N-(4-ethoxyphenyl)acetamide
CID 47107212
N-(4-ethoxyphenyl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108942054
1-amino-3-(4-ethoxyphenyl)-1-methylurea
CID 154129806
N-(4-cyclopentyloxyphenyl)-4-ethoxybenzamide
CID 36565370

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-1-cyclopentyl-3-(4-ethoxyphenyl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-1-cyclopentyl-3-(4-ethoxyphenyl)urea (CID 5001476) is 1-(1-acetylpiperidin-4-yl)-1-cyclopentyl-3-(4-ethoxyphenyl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-1-cyclopentyl-3-(4-ethoxyphenyl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-1-cyclopentyl-3-(4-ethoxyphenyl)urea is CCOc1ccc(NC(=O)N(C2CCCC2)C2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-1-cyclopentyl-3-(4-ethoxyphenyl)urea?
The InChIKey is CZVAIRNTPVZODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O3/c1-3-27-20-10-8-17(9-11-20)22-21(26)24(18-6-4-5-7-18)19-12-14-23(15-13-19)16(2)25/h8-11,18-19H,3-7,12-15H2,1-2H3,(H,22,26).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-1-cyclopentyl-3-(4-ethoxyphenyl)urea?
1-(1-acetylpiperidin-4-yl)-1-cyclopentyl-3-(4-ethoxyphenyl)urea has a molecular weight of 373.50 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-1-cyclopentyl-3-(4-ethoxyphenyl)urea is sourced from PubChem (CID 5001476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).