1-(1-acetylpiperidin-4-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ylethyl)urea

C22H34N4O3 — CID 3240155

IUPAC1-(1-acetylpiperidin-4-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ylethyl)urea
SMILESCCc1ccc(NC(=O)N(CCN2CCOCC2)C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C22H34N4O3/c1-3-19-4-6-20(7-5-19)23-22(28)26(13-12-24-14-16-29-17-15-24)21-8-10-25(11-9-21)18(2)27/h4-7,21H,3,8-17H2,1-2H3,(H,23,28)
InChIKeyHRTSOBDUEQZVCY-UHFFFAOYSA-N
MW402.54 g/mol
LogP2.43
Rot. Bonds6

About 1-(1-acetylpiperidin-4-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ylethyl)urea

1-(1-acetylpiperidin-4-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ylethyl)urea (PubChem CID 3240155) has the molecular formula C22H34N4O3 and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ylethyl)urea
PubChem CID3240155
Molecular FormulaC22H34N4O3
Molecular Weight402.54 g/mol
Exact Mass402.26
IUPAC Name1-(1-acetylpiperidin-4-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ylethyl)urea
SMILESCCc1ccc(NC(=O)N(CCN2CCOCC2)C2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C22H34N4O3/c1-3-19-4-6-20(7-5-19)23-22(28)26(13-12-24-14-16-29-17-15-24)21-8-10-25(11-9-21)18(2)27/h4-7,21H,3,8-17H2,1-2H3,(H,23,28)
InChIKeyHRTSOBDUEQZVCY-UHFFFAOYSA-N
XLogP2.43
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Morpholinecarboxamide, N,N'-(methylenedi-4,1-phenylene)bis-
CID 116583
1-(1-Propionylpiperidin-4-yl)-3-p-tolylurea
CID 49782799
N-(2,4-dimethylphenyl)-N'-[3-(morpholin-4-yl)propyl]ethanediamide
CID 1912438
3-(Cyclopropanecarbonyl-amino)-9-aza-bicyclo[3.3.1]nonane-9-carboxylic acid p-tolylamide
CID 24792578
N-(4-((morpholin-4-yl)methyl)phenyl)acetamide
CID 783020
4-(N-(P-Tolyl)carbamoyl)morpholine
CID 790704
N-[[4-(morpholin-4-ylmethyl)phenyl]carbamothioyl]butanamide
CID 851459
N-{2-[4-(4-ethylphenyl)-1-piperazinyl]ethyl}-N'-phenylurea
CID 1256791
N-[4-(butan-2-yl)phenyl]morpholine-4-carboxamide
CID 2880620
N,N,6-trimethyl-4-(4-morpholin-4-ylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 5041693
N-(4-ethylphenyl)-N'-[2-(1-piperidinyl)ethyl]urea
CID 6466423
3-[3-(Morpholin-4-yl)propyl]-1-(4-{[4-({[3-(morpholin-4-yl)propyl]carbamoyl}amino)phenyl]methyl}phenyl)urea
CID 330452

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ylethyl)urea (CID 3240155) is 1-(1-acetylpiperidin-4-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ylethyl)urea is CCc1ccc(NC(=O)N(CCN2CCOCC2)C2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ylethyl)urea?
The InChIKey is HRTSOBDUEQZVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O3/c1-3-19-4-6-20(7-5-19)23-22(28)26(13-12-24-14-16-29-17-15-24)21-8-10-25(11-9-21)18(2)27/h4-7,21H,3,8-17H2,1-2H3,(H,23,28).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ylethyl)urea?
1-(1-acetylpiperidin-4-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 402.54 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-3-(4-ethylphenyl)-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 3240155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).