(3S)-3-(hydroxymethyl)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide

C15H28N2O3 — CID 95970379

IUPAC(3S)-3-(hydroxymethyl)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide
SMILESCO[C@]1(C)C[C@@H](NC(=O)N2CCC[C@H](CO)C2)C1(C)C
InChIInChI=1S/C15H28N2O3/c1-14(2)12(8-15(14,3)20-4)16-13(19)17-7-5-6-11(9-17)10-18/h11-12,18H,5-10H2,1-4H3,(H,16,19)/t11-,12+,15+/m0/s1
InChIKeyYZCMVAQEVZKXSO-YWPYICTPSA-N
MW284.40 g/mol
LogP1.60
Rot. Bonds3

About (3S)-3-(hydroxymethyl)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide

(3S)-3-(hydroxymethyl)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide (PubChem CID 95970379) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is (3S)-3-(hydroxymethyl)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(hydroxymethyl)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide
PubChem CID95970379
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name(3S)-3-(hydroxymethyl)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide
SMILESCO[C@]1(C)C[C@@H](NC(=O)N2CCC[C@H](CO)C2)C1(C)C
InChIInChI=1S/C15H28N2O3/c1-14(2)12(8-15(14,3)20-4)16-13(19)17-7-5-6-11(9-17)10-18/h11-12,18H,5-10H2,1-4H3,(H,16,19)/t11-,12+,15+/m0/s1
InChIKeyYZCMVAQEVZKXSO-YWPYICTPSA-N
XLogP1.60
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(hydroxymethyl)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(hydroxymethyl)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide (CID 95970379) is (3S)-3-(hydroxymethyl)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(hydroxymethyl)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(hydroxymethyl)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide is CO[C@]1(C)C[C@@H](NC(=O)N2CCC[C@H](CO)C2)C1(C)C.
What is the InChIKey of (3S)-3-(hydroxymethyl)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide?
The InChIKey is YZCMVAQEVZKXSO-YWPYICTPSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-14(2)12(8-15(14,3)20-4)16-13(19)17-7-5-6-11(9-17)10-18/h11-12,18H,5-10H2,1-4H3,(H,16,19)/t11-,12+,15+/m0/s1.
What are the key properties of (3S)-3-(hydroxymethyl)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide?
(3S)-3-(hydroxymethyl)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide has a molecular weight of 284.40 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(hydroxymethyl)-N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]piperidine-1-carboxamide is sourced from PubChem (CID 95970379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).