1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea

C18H28N4O — CID 113030823

IUPAC1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea
SMILESCC1CCCN(c2ccc(NC(=O)NC3CCCCC3)nc2)C1
InChIInChI=1S/C18H28N4O/c1-14-6-5-11-22(13-14)16-9-10-17(19-12-16)21-18(23)20-15-7-3-2-4-8-15/h9-10,12,14-15H,2-8,11,13H2,1H3,(H2,19,20,21,23)
InChIKeyMFBJKSSFRJVNLB-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.77
Rot. Bonds3

About 1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea

1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea (PubChem CID 113030823) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea
PubChem CID113030823
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea
SMILESCC1CCCN(c2ccc(NC(=O)NC3CCCCC3)nc2)C1
InChIInChI=1S/C18H28N4O/c1-14-6-5-11-22(13-14)16-9-10-17(19-12-16)21-18(23)20-15-7-3-2-4-8-15/h9-10,12,14-15H,2-8,11,13H2,1H3,(H2,19,20,21,23)
InChIKeyMFBJKSSFRJVNLB-UHFFFAOYSA-N
XLogP3.77
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]propanamide
CID 113030760
N-cyclohexyl-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109182975
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113030831
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]propane-1-sulfonamide
CID 113030836
1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea
CID 113029543
1-[6-(azepan-1-yl)pyridazin-3-yl]-3-cyclohexylurea
CID 113045369
1-cyclopropyl-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]urea
CID 113029407
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
1-(5-cyano-2-pyridinyl)-3-cyclohexylurea
CID 55063233
6-(cyclopropylcarbamoylamino)pyridine-3-carboxylic acid
CID 62697960
N-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113030849

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea?
The IUPAC name of 1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea (CID 113030823) is 1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea is CC1CCCN(c2ccc(NC(=O)NC3CCCCC3)nc2)C1.
What is the InChIKey of 1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea?
The InChIKey is MFBJKSSFRJVNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-14-6-5-11-22(13-14)16-9-10-17(19-12-16)21-18(23)20-15-7-3-2-4-8-15/h9-10,12,14-15H,2-8,11,13H2,1H3,(H2,19,20,21,23).
What are the key properties of 1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea?
1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea has a molecular weight of 316.45 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea is sourced from PubChem (CID 113030823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).