3-[1-(3-chloro-2-methylphenyl)propyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea

C19H30ClN3O — CID 70653454

IUPAC3-[1-(3-chloro-2-methylphenyl)propyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea
SMILESCCC(NC(=O)N(CC)C1CCN(C)CC1)c1cccc(Cl)c1C
InChIInChI=1S/C19H30ClN3O/c1-5-18(16-8-7-9-17(20)14(16)3)21-19(24)23(6-2)15-10-12-22(4)13-11-15/h7-9,15,18H,5-6,10-13H2,1-4H3,(H,21,24)
InChIKeyLVJPWTAADGRIAC-UHFFFAOYSA-N
MW351.92 g/mol
LogP4.23
Rot. Bonds5

About 3-[1-(3-chloro-2-methylphenyl)propyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea

3-[1-(3-chloro-2-methylphenyl)propyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea (PubChem CID 70653454) has the molecular formula C19H30ClN3O and a molecular weight of 351.92 g/mol. Its IUPAC name is 3-[1-(3-chloro-2-methylphenyl)propyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name3-[1-(3-chloro-2-methylphenyl)propyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea
PubChem CID70653454
Molecular FormulaC19H30ClN3O
Molecular Weight351.92 g/mol
Exact Mass351.21
IUPAC Name3-[1-(3-chloro-2-methylphenyl)propyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea
SMILESCCC(NC(=O)N(CC)C1CCN(C)CC1)c1cccc(Cl)c1C
InChIInChI=1S/C19H30ClN3O/c1-5-18(16-8-7-9-17(20)14(16)3)21-19(24)23(6-2)15-10-12-22(4)13-11-15/h7-9,15,18H,5-6,10-13H2,1-4H3,(H,21,24)
InChIKeyLVJPWTAADGRIAC-UHFFFAOYSA-N
XLogP4.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.92
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1R)-1-(3-chloro-2-methylphenyl)ethyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea
CID 70653331
3-[1-(3-chloro-2-methylphenyl)ethyl]-1-(cyclohexylmethyl)-1-(1-methylpiperidin-4-yl)urea
CID 70653329
1-benzyl-3-[1-(3-chloro-2-methylphenyl)ethyl]-1-(1-methylpiperidin-4-yl)urea
CID 70653571
1-benzyl-3-[1-(3-chloro-2-methylphenyl)ethyl]-1-(1,3-dimethylpiperidin-4-yl)urea
CID 70653361
3-[1-(2-chlorophenyl)ethyl]-1-ethyl-1-(oxan-4-yl)urea
CID 119074169
1-benzyl-3-[1-(2,3-dichlorophenyl)ethyl]-1-(1-methylpiperidin-4-yl)urea;N-benzyl-1-methylpiperidin-4-amine;1-(2,3-dichlorophenyl)ethanamine
CID 159904542
1-(3-chloro-2-methylphenyl)propylhydrazine
CID 107103563
3-chloro-N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzamide
CID 110463788
3-[1-(2,3-dichlorophenyl)ethyl]-1-methoxy-1-(1-methylpiperidin-4-yl)urea
CID 88868027
1-[(2-chlorophenyl)methyl]-3-[2-(2,3-dichlorophenyl)propyl]-1-(1-methylpiperidin-4-yl)urea
CID 126763051
3-[[cyclopropyl(ethyl)carbamoyl]amino]-3-phenylpropanoic acid
CID 61195800
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-1-methylpiperidine-4-carboxamide
CID 99970775

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-chloro-2-methylphenyl)propyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 3-[1-(3-chloro-2-methylphenyl)propyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea (CID 70653454) is 3-[1-(3-chloro-2-methylphenyl)propyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 3-[1-(3-chloro-2-methylphenyl)propyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 3-[1-(3-chloro-2-methylphenyl)propyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea is CCC(NC(=O)N(CC)C1CCN(C)CC1)c1cccc(Cl)c1C.
What is the InChIKey of 3-[1-(3-chloro-2-methylphenyl)propyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea?
The InChIKey is LVJPWTAADGRIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3O/c1-5-18(16-8-7-9-17(20)14(16)3)21-19(24)23(6-2)15-10-12-22(4)13-11-15/h7-9,15,18H,5-6,10-13H2,1-4H3,(H,21,24).
What are the key properties of 3-[1-(3-chloro-2-methylphenyl)propyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea?
3-[1-(3-chloro-2-methylphenyl)propyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea has a molecular weight of 351.92 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-chloro-2-methylphenyl)propyl]-1-ethyl-1-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 70653454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).