1-methyl-1-(3-methylcyclohexyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea

C21H34N4O — CID 112835433

IUPAC1-methyl-1-(3-methylcyclohexyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
SMILESCC1CCN(c2ccc(CNC(=O)N(C)C3CCCC(C)C3)cn2)CC1
InChIInChI=1S/C21H34N4O/c1-16-9-11-25(12-10-16)20-8-7-18(14-22-20)15-23-21(26)24(3)19-6-4-5-17(2)13-19/h7-8,14,16-17,19H,4-6,9-13,15H2,1-3H3,(H,23,26)
InChIKeyMVPXQTYQIVPUJG-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.04
Rot. Bonds4

About 1-methyl-1-(3-methylcyclohexyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea

1-methyl-1-(3-methylcyclohexyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea (PubChem CID 112835433) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-methyl-1-(3-methylcyclohexyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-methyl-1-(3-methylcyclohexyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
PubChem CID112835433
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Name1-methyl-1-(3-methylcyclohexyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
SMILESCC1CCN(c2ccc(CNC(=O)N(C)C3CCCC(C)C3)cn2)CC1
InChIInChI=1S/C21H34N4O/c1-16-9-11-25(12-10-16)20-8-7-18(14-22-20)15-23-21(26)24(3)19-6-4-5-17(2)13-19/h7-8,14,16-17,19H,4-6,9-13,15H2,1-3H3,(H,23,26)
InChIKeyMVPXQTYQIVPUJG-UHFFFAOYSA-N
XLogP4.04
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-1-(3-methylcyclohexyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea with MolForge

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Related Compounds

3-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-methyl-1-piperidin-4-ylurea
CID 128786544
1-ethyl-1-(2-hydroxyethyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
CID 110896030
1-[(3-fluorophenyl)methyl]-1-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea
CID 87004078
4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide
CID 55846067
2-methyl-N-[[6-(4-methylazepan-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 63625251
(2R)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]piperidine-2-carboxamide
CID 119846204
N,N-dimethyl-4-[[[N'-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 111875054
2-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 60777709
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55054509
1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
CID 55739819
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 99817715
2-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55749921

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(3-methylcyclohexyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea?
The IUPAC name of 1-methyl-1-(3-methylcyclohexyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea (CID 112835433) is 1-methyl-1-(3-methylcyclohexyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea.
What is the SMILES notation for 1-methyl-1-(3-methylcyclohexyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea?
The canonical SMILES for 1-methyl-1-(3-methylcyclohexyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea is CC1CCN(c2ccc(CNC(=O)N(C)C3CCCC(C)C3)cn2)CC1.
What is the InChIKey of 1-methyl-1-(3-methylcyclohexyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea?
The InChIKey is MVPXQTYQIVPUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O/c1-16-9-11-25(12-10-16)20-8-7-18(14-22-20)15-23-21(26)24(3)19-6-4-5-17(2)13-19/h7-8,14,16-17,19H,4-6,9-13,15H2,1-3H3,(H,23,26).
What are the key properties of 1-methyl-1-(3-methylcyclohexyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea?
1-methyl-1-(3-methylcyclohexyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea has a molecular weight of 358.53 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(3-methylcyclohexyl)-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]urea is sourced from PubChem (CID 112835433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).