(2S,4S)-N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-methylpiperidine-4-carboxamide

C15H28N2O2 — CID 120641296

IUPAC(2S,4S)-N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-methylpiperidine-4-carboxamide
SMILESCOC1C(C)C(NC(=O)[C@H]2CCN[C@@H](C)C2)C1(C)C
InChIInChI=1S/C15H28N2O2/c1-9-8-11(6-7-16-9)14(18)17-12-10(2)13(19-5)15(12,3)4/h9-13,16H,6-8H2,1-5H3,(H,17,18)/t9-,10?,11-,12?,13?/m0/s1
InChIKeyXFKNMNDMHAHIOK-NIMGSEGYSA-N
MW268.40 g/mol
LogP1.55
Rot. Bonds3

About (2S,4S)-N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-methylpiperidine-4-carboxamide

(2S,4S)-N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-methylpiperidine-4-carboxamide (PubChem CID 120641296) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is (2S,4S)-N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-methylpiperidine-4-carboxamide
PubChem CID120641296
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name(2S,4S)-N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-methylpiperidine-4-carboxamide
SMILESCOC1C(C)C(NC(=O)[C@H]2CCN[C@@H](C)C2)C1(C)C
InChIInChI=1S/C15H28N2O2/c1-9-8-11(6-7-16-9)14(18)17-12-10(2)13(19-5)15(12,3)4/h9-13,16H,6-8H2,1-5H3,(H,17,18)/t9-,10?,11-,12?,13?/m0/s1
InChIKeyXFKNMNDMHAHIOK-NIMGSEGYSA-N
XLogP1.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-methylpiperidine-4-carboxamide (CID 120641296) is (2S,4S)-N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-methylpiperidine-4-carboxamide is COC1C(C)C(NC(=O)[C@H]2CCN[C@@H](C)C2)C1(C)C.
What is the InChIKey of (2S,4S)-N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-methylpiperidine-4-carboxamide?
The InChIKey is XFKNMNDMHAHIOK-NIMGSEGYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-9-8-11(6-7-16-9)14(18)17-12-10(2)13(19-5)15(12,3)4/h9-13,16H,6-8H2,1-5H3,(H,17,18)/t9-,10?,11-,12?,13?/m0/s1.
What are the key properties of (2S,4S)-N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-methylpiperidine-4-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(3-methoxy-2,2,4-trimethylcyclobutyl)-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120641296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).