N-(1-methylcyclobutyl)-1-piperidin-1-ylcyclohexane-1-carboxamide

C17H30N2O — CID 131929682

IUPACN-(1-methylcyclobutyl)-1-piperidin-1-ylcyclohexane-1-carboxamide
SMILESCC1(NC(=O)C2(N3CCCCC3)CCCCC2)CCC1
InChIInChI=1S/C17H30N2O/c1-16(9-8-10-16)18-15(20)17(11-4-2-5-12-17)19-13-6-3-7-14-19/h2-14H2,1H3,(H,18,20)
InChIKeyFOCIKGDUYDJGRK-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.23
Rot. Bonds3

About N-(1-methylcyclobutyl)-1-piperidin-1-ylcyclohexane-1-carboxamide

N-(1-methylcyclobutyl)-1-piperidin-1-ylcyclohexane-1-carboxamide (PubChem CID 131929682) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-(1-methylcyclobutyl)-1-piperidin-1-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-methylcyclobutyl)-1-piperidin-1-ylcyclohexane-1-carboxamide
PubChem CID131929682
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-(1-methylcyclobutyl)-1-piperidin-1-ylcyclohexane-1-carboxamide
SMILESCC1(NC(=O)C2(N3CCCCC3)CCCCC2)CCC1
InChIInChI=1S/C17H30N2O/c1-16(9-8-10-16)18-15(20)17(11-4-2-5-12-17)19-13-6-3-7-14-19/h2-14H2,1H3,(H,18,20)
InChIKeyFOCIKGDUYDJGRK-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclobutyl)-1-piperidin-1-ylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-methylcyclobutyl)-1-piperidin-1-ylcyclohexane-1-carboxamide (CID 131929682) is N-(1-methylcyclobutyl)-1-piperidin-1-ylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-methylcyclobutyl)-1-piperidin-1-ylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-methylcyclobutyl)-1-piperidin-1-ylcyclohexane-1-carboxamide is CC1(NC(=O)C2(N3CCCCC3)CCCCC2)CCC1.
What is the InChIKey of N-(1-methylcyclobutyl)-1-piperidin-1-ylcyclohexane-1-carboxamide?
The InChIKey is FOCIKGDUYDJGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-16(9-8-10-16)18-15(20)17(11-4-2-5-12-17)19-13-6-3-7-14-19/h2-14H2,1H3,(H,18,20).
What are the key properties of N-(1-methylcyclobutyl)-1-piperidin-1-ylcyclohexane-1-carboxamide?
N-(1-methylcyclobutyl)-1-piperidin-1-ylcyclohexane-1-carboxamide has a molecular weight of 278.44 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclobutyl)-1-piperidin-1-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 131929682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).