N-[(1-hydroxycycloheptyl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

C18H32N2O3 — CID 111433256

IUPACN-[(1-hydroxycycloheptyl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NCC2(O)CCCCCC2)CC1
InChIInChI=1S/C18H32N2O3/c1-14(2)17(22)20-11-7-15(8-12-20)16(21)19-13-18(23)9-5-3-4-6-10-18/h14-15,23H,3-13H2,1-2H3,(H,19,21)
InChIKeyCIRFOAJZAZOUBW-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.08
Rot. Bonds4

About N-[(1-hydroxycycloheptyl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-[(1-hydroxycycloheptyl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 111433256) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID111433256
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)NCC2(O)CCCCCC2)CC1
InChIInChI=1S/C18H32N2O3/c1-14(2)17(22)20-11-7-15(8-12-20)16(21)19-13-18(23)9-5-3-4-6-10-18/h14-15,23H,3-13H2,1-2H3,(H,19,21)
InChIKeyCIRFOAJZAZOUBW-UHFFFAOYSA-N
XLogP2.08
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 111433256) is N-[(1-hydroxycycloheptyl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)NCC2(O)CCCCCC2)CC1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is CIRFOAJZAZOUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-14(2)17(22)20-11-7-15(8-12-20)16(21)19-13-18(23)9-5-3-4-6-10-18/h14-15,23H,3-13H2,1-2H3,(H,19,21).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-[(1-hydroxycycloheptyl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 324.47 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 111433256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).