1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea

C19H31N3O — CID 16842222

IUPAC1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
SMILESCCc1cccc(C)c1NC(=O)NCC(C)N1CCC(C)CC1
InChIInChI=1S/C19H31N3O/c1-5-17-8-6-7-15(3)18(17)21-19(23)20-13-16(4)22-11-9-14(2)10-12-22/h6-8,14,16H,5,9-13H2,1-4H3,(H2,20,21,23)
InChIKeyFLMSTFNYUCBBIX-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.80
Rot. Bonds5

About 1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea

1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea (PubChem CID 16842222) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
PubChem CID16842222
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
SMILESCCc1cccc(C)c1NC(=O)NCC(C)N1CCC(C)CC1
InChIInChI=1S/C19H31N3O/c1-5-17-8-6-7-15(3)18(17)21-19(23)20-13-16(4)22-11-9-14(2)10-12-22/h6-8,14,16H,5,9-13H2,1-4H3,(H2,20,21,23)
InChIKeyFLMSTFNYUCBBIX-UHFFFAOYSA-N
XLogP3.80
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 42473222
1-(cyclopropylmethyl)-3-(2-ethyl-6-methylphenyl)urea
CID 47031896
N-(2-ethyl-6-methylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014562
1-(2-ethyl-6-methylphenyl)-3-[(2R)-2-hydroxy-2-phenylethyl]urea
CID 94822914
N-(2-ethyl-6-methylphenyl)-1-(4-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972413
1-(2-ethyl-6-methylphenyl)-3-[[1-(hydroxymethyl)cyclopropyl]methyl]urea
CID 111572889
1-(2-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 110910267
N-(2,6-diethylphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 22197689
1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 51127008
1-butyl-3-(2-ethyl-6-methylphenyl)urea
CID 4278345
1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 60598083
1-[(2S)-2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-2-ylmethyl)urea
CID 95178018

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea (CID 16842222) is 1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea is CCc1cccc(C)c1NC(=O)NCC(C)N1CCC(C)CC1.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea?
The InChIKey is FLMSTFNYUCBBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-5-17-8-6-7-15(3)18(17)21-19(23)20-13-16(4)22-11-9-14(2)10-12-22/h6-8,14,16H,5,9-13H2,1-4H3,(H2,20,21,23).
What are the key properties of 1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea?
1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea has a molecular weight of 317.48 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 16842222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).