1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]-1-[(1-methylpiperidin-4-yl)methyl]urea

C18H35N3O2 — CID 56825722

IUPAC1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]-1-[(1-methylpiperidin-4-yl)methyl]urea
SMILESCC1CCCCC1OCCNC(=O)N(C)CC1CCN(C)CC1
InChIInChI=1S/C18H35N3O2/c1-15-6-4-5-7-17(15)23-13-10-19-18(22)21(3)14-16-8-11-20(2)12-9-16/h15-17H,4-14H2,1-3H3,(H,19,22)
InChIKeyTVVJUCODGBMBMN-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.56
Rot. Bonds6

About 1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]-1-[(1-methylpiperidin-4-yl)methyl]urea

1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]-1-[(1-methylpiperidin-4-yl)methyl]urea (PubChem CID 56825722) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]-1-[(1-methylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]-1-[(1-methylpiperidin-4-yl)methyl]urea
PubChem CID56825722
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]-1-[(1-methylpiperidin-4-yl)methyl]urea
SMILESCC1CCCCC1OCCNC(=O)N(C)CC1CCN(C)CC1
InChIInChI=1S/C18H35N3O2/c1-15-6-4-5-7-17(15)23-13-10-19-18(22)21(3)14-16-8-11-20(2)12-9-16/h15-17H,4-14H2,1-3H3,(H,19,22)
InChIKeyTVVJUCODGBMBMN-UHFFFAOYSA-N
XLogP2.56
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methyl-3-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 129421266
N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]pyrrolidine-1-carboxamide
CID 52657660
1-methyl-3-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-1-(2-pyrazol-1-ylethyl)urea
CID 95622064
1-methyl-3-[[(1S,3R)-3-methylcyclohexyl]methyl]-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 95572797
1-[2-(4-fluorophenoxy)ethyl]-1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]urea
CID 55808705
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 95573046
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]urea
CID 95291672
1,3-bis(cyclopentylmethyl)-1-methylurea
CID 71882536
3-amino-1-methyl-1-[(1-methylpiperidin-4-yl)methyl]urea
CID 115192849
1-methyl-1-[(1-methylpiperidin-4-yl)methyl]-3-(2,2,2-trifluoroethyl)urea
CID 113231769
N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1,4-thiazepane-4-carboxamide
CID 96555189
N-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 94031283

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]-1-[(1-methylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]-1-[(1-methylpiperidin-4-yl)methyl]urea (CID 56825722) is 1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]-1-[(1-methylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]-1-[(1-methylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]-1-[(1-methylpiperidin-4-yl)methyl]urea is CC1CCCCC1OCCNC(=O)N(C)CC1CCN(C)CC1.
What is the InChIKey of 1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]-1-[(1-methylpiperidin-4-yl)methyl]urea?
The InChIKey is TVVJUCODGBMBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-15-6-4-5-7-17(15)23-13-10-19-18(22)21(3)14-16-8-11-20(2)12-9-16/h15-17H,4-14H2,1-3H3,(H,19,22).
What are the key properties of 1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]-1-[(1-methylpiperidin-4-yl)methyl]urea?
1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]-1-[(1-methylpiperidin-4-yl)methyl]urea has a molecular weight of 325.50 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(2-methylcyclohexyl)oxyethyl]-1-[(1-methylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 56825722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).