methyl-[4-(5-piperidin-1-ylpentyl)cyclohexyl]carbamic acid

C18H34N2O2 — CID 22567769

IUPACmethyl-[4-(5-piperidin-1-ylpentyl)cyclohexyl]carbamic acid
SMILESCN(C(=O)O)C1CCC(CCCCCN2CCCCC2)CC1
InChIInChI=1S/C18H34N2O2/c1-19(18(21)22)17-11-9-16(10-12-17)8-4-2-5-13-20-14-6-3-7-15-20/h16-17H,2-15H2,1H3,(H,21,22)
InChIKeyCHTLILHZUVNFMP-UHFFFAOYSA-N
MW310.48 g/mol
LogP4.20
Rot. Bonds7

About methyl-[4-(5-piperidin-1-ylpentyl)cyclohexyl]carbamic acid

methyl-[4-(5-piperidin-1-ylpentyl)cyclohexyl]carbamic acid (PubChem CID 22567769) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is methyl-[4-(5-piperidin-1-ylpentyl)cyclohexyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[4-(5-piperidin-1-ylpentyl)cyclohexyl]carbamic acid
PubChem CID22567769
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Namemethyl-[4-(5-piperidin-1-ylpentyl)cyclohexyl]carbamic acid
SMILESCN(C(=O)O)C1CCC(CCCCCN2CCCCC2)CC1
InChIInChI=1S/C18H34N2O2/c1-19(18(21)22)17-11-9-16(10-12-17)8-4-2-5-13-20-14-6-3-7-15-20/h16-17H,2-15H2,1H3,(H,21,22)
InChIKeyCHTLILHZUVNFMP-UHFFFAOYSA-N
XLogP4.20
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-[4-(5-piperidin-1-ylpentyl)cyclohexyl]carbamic acid?
The IUPAC name of methyl-[4-(5-piperidin-1-ylpentyl)cyclohexyl]carbamic acid (CID 22567769) is methyl-[4-(5-piperidin-1-ylpentyl)cyclohexyl]carbamic acid.
What is the SMILES notation for methyl-[4-(5-piperidin-1-ylpentyl)cyclohexyl]carbamic acid?
The canonical SMILES for methyl-[4-(5-piperidin-1-ylpentyl)cyclohexyl]carbamic acid is CN(C(=O)O)C1CCC(CCCCCN2CCCCC2)CC1.
What is the InChIKey of methyl-[4-(5-piperidin-1-ylpentyl)cyclohexyl]carbamic acid?
The InChIKey is CHTLILHZUVNFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-19(18(21)22)17-11-9-16(10-12-17)8-4-2-5-13-20-14-6-3-7-15-20/h16-17H,2-15H2,1H3,(H,21,22).
What are the key properties of methyl-[4-(5-piperidin-1-ylpentyl)cyclohexyl]carbamic acid?
methyl-[4-(5-piperidin-1-ylpentyl)cyclohexyl]carbamic acid has a molecular weight of 310.48 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-(5-piperidin-1-ylpentyl)cyclohexyl]carbamic acid is sourced from PubChem (CID 22567769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).