1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]urea

C19H34F3N3O — CID 55744663

IUPAC1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESCC1CCN(C(CNC(=O)NC2CCCC(C(F)(F)F)C2)C(C)C)CC1
InChIInChI=1S/C19H34F3N3O/c1-13(2)17(25-9-7-14(3)8-10-25)12-23-18(26)24-16-6-4-5-15(11-16)19(20,21)22/h13-17H,4-12H2,1-3H3,(H2,23,24,26)
InChIKeyHYSDQWIBNPPFNO-UHFFFAOYSA-N
MW377.50 g/mol
LogP4.16
Rot. Bonds5

About 1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]urea

1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]urea (PubChem CID 55744663) has the molecular formula C19H34F3N3O and a molecular weight of 377.50 g/mol. Its IUPAC name is 1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]urea.

Molecular Properties

Compound Name1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
PubChem CID55744663
Molecular FormulaC19H34F3N3O
Molecular Weight377.50 g/mol
Exact Mass377.27
IUPAC Name1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
SMILESCC1CCN(C(CNC(=O)NC2CCCC(C(F)(F)F)C2)C(C)C)CC1
InChIInChI=1S/C19H34F3N3O/c1-13(2)17(25-9-7-14(3)8-10-25)12-23-18(26)24-16-6-4-5-15(11-16)19(20,21)22/h13-17H,4-12H2,1-3H3,(H2,23,24,26)
InChIKeyHYSDQWIBNPPFNO-UHFFFAOYSA-N
XLogP4.16
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]urea with MolForge

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Related Compounds

1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea
CID 110402862
1-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 36974082
1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 55559318
1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea
CID 110894656
(2S)-2-methyl-N-[(1R,3R)-3-(trifluoromethyl)cyclohexyl]butanamide
CID 100835824
2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide
CID 119849844
1-[(3S)-1-propanoylpyrrolidin-3-yl]-3-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]urea
CID 97095074
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 110893358
1-(1-methylpiperidin-4-yl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
CID 95681890
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 62852011
1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 78881606
2-amino-3,3-dimethyl-N-[3-(trifluoromethyl)cyclohexyl]butanamide
CID 76887112

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
The IUPAC name of 1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]urea (CID 55744663) is 1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]urea.
What is the SMILES notation for 1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
The canonical SMILES for 1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]urea is CC1CCN(C(CNC(=O)NC2CCCC(C(F)(F)F)C2)C(C)C)CC1.
What is the InChIKey of 1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
The InChIKey is HYSDQWIBNPPFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F3N3O/c1-13(2)17(25-9-7-14(3)8-10-25)12-23-18(26)24-16-6-4-5-15(11-16)19(20,21)22/h13-17H,4-12H2,1-3H3,(H2,23,24,26).
What are the key properties of 1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]urea?
1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]urea has a molecular weight of 377.50 g/mol, XLogP of 4.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]urea is sourced from PubChem (CID 55744663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).