[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-5-chlorophenyl]urea

C21H24ClN3O3 — CID 11675741

IUPAC[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-5-chlorophenyl]urea
SMILESNC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H24ClN3O3/c22-17-6-7-19(18(13-17)24-21(23)27)28-14-20(26)25-10-8-16(9-11-25)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H3,23,24,27)
InChIKeyPFSGBCCVFPFQFH-UHFFFAOYSA-N
MW401.89 g/mol
LogP3.69
Rot. Bonds6

About [2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-5-chlorophenyl]urea

[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-5-chlorophenyl]urea (PubChem CID 11675741) has the molecular formula C21H24ClN3O3 and a molecular weight of 401.89 g/mol. Its IUPAC name is [2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-5-chlorophenyl]urea.

Molecular Properties

Compound Name[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-5-chlorophenyl]urea
PubChem CID11675741
Molecular FormulaC21H24ClN3O3
Molecular Weight401.89 g/mol
Exact Mass401.15
IUPAC Name[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-5-chlorophenyl]urea
SMILESNC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C21H24ClN3O3/c22-17-6-7-19(18(13-17)24-21(23)27)28-14-20(26)25-10-8-16(9-11-25)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H3,23,24,27)
InChIKeyPFSGBCCVFPFQFH-UHFFFAOYSA-N
XLogP3.69
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.89
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-(aminomethyl)-2-methoxyphenoxy]-1-(4-benzylpiperidin-1-yl)ethanone
CID 139677549
1-(4-benzylpiperidin-1-yl)-4-(2,4-dichlorophenoxy)butan-1-one
CID 3428823
2-[2-(carbamoylamino)-4-chlorophenoxy]acetamide
CID 141161863
2-(4-benzylpiperidin-1-yl)-N-(2,5-dichlorophenyl)-2-oxoacetamide
CID 108500909
1-(4-benzylpiperidin-1-yl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 112778179
1-(4-benzylpiperidin-1-yl)-2-(6-chlorobenzotriazol-1-yl)oxyethanone
CID 7696725
[2-[2-[4-(aminomethyl)-4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxoethoxy]-5-chlorophenyl]urea
CID 11619284
1-(4-benzylpiperidin-1-yl)-2-(2-methoxy-5-nitrophenoxy)ethanone
CID 7931900
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 2388361
N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-chloro-2-ethoxy-N-methylbenzenesulfonamide
CID 30168093
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 5078651
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
CID 2358006

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-5-chlorophenyl]urea?
The IUPAC name of [2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-5-chlorophenyl]urea (CID 11675741) is [2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-5-chlorophenyl]urea.
What is the SMILES notation for [2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-5-chlorophenyl]urea?
The canonical SMILES for [2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-5-chlorophenyl]urea is NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of [2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-5-chlorophenyl]urea?
The InChIKey is PFSGBCCVFPFQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O3/c22-17-6-7-19(18(13-17)24-21(23)27)28-14-20(26)25-10-8-16(9-11-25)12-15-4-2-1-3-5-15/h1-7,13,16H,8-12,14H2,(H3,23,24,27).
What are the key properties of [2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-5-chlorophenyl]urea?
[2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-5-chlorophenyl]urea has a molecular weight of 401.89 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-benzylpiperidin-1-yl)-2-oxoethoxy]-5-chlorophenyl]urea is sourced from PubChem (CID 11675741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).