N-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide

C14H26N2O2 — CID 114119268

IUPACN-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide
SMILESCOC1(CNC(=O)C2NCCCC2(C)C)CCC1
InChIInChI=1S/C14H26N2O2/c1-13(2)6-5-9-15-11(13)12(17)16-10-14(18-3)7-4-8-14/h11,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyJAXMCFSYBKQUMG-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.45
Rot. Bonds4

About N-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide

N-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide (PubChem CID 114119268) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide
PubChem CID114119268
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide
SMILESCOC1(CNC(=O)C2NCCCC2(C)C)CCC1
InChIInChI=1S/C14H26N2O2/c1-13(2)6-5-9-15-11(13)12(17)16-10-14(18-3)7-4-8-14/h11,15H,4-10H2,1-3H3,(H,16,17)
InChIKeyJAXMCFSYBKQUMG-UHFFFAOYSA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyclopropylpropyl)-3,3-dimethylpiperidine-2-carboxamide
CID 114084316
N-(5-amino-5-oxopentyl)-3,3-dimethylpiperidine-2-carboxamide
CID 114162096
3,3-dimethyl-N-pent-4-ynylpiperidine-2-carboxamide
CID 106221816
3,3-dimethyl-N-[2-(2-methylpropoxy)ethyl]piperidine-2-carboxamide
CID 114084318
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3,3-dimethylpiperidine-2-carboxamide
CID 114084217
3,3-dimethyl-N-(3-methylsulfanylbutyl)piperidine-2-carboxamide
CID 114084303
(2S)-3,3-dimethylpiperidine-2-carboxylic acid
CID 93492996
3,3-dimethyl-N-(2-methylcyclohexyl)piperidine-2-carboxamide
CID 114083995
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide
CID 106390878
N-(4-aminocyclohexyl)-3,3-dimethylpiperidine-2-carboxamide
CID 114084152
methyl 3,3-dimethylpyrrolidine-2-carboxylate
CID 75088961
N-[(3-methoxyoxolan-3-yl)methyl]-2-methylpiperidine-3-carboxamide
CID 104762009

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide (CID 114119268) is N-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide is COC1(CNC(=O)C2NCCCC2(C)C)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide?
The InChIKey is JAXMCFSYBKQUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-13(2)6-5-9-15-11(13)12(17)16-10-14(18-3)7-4-8-14/h11,15H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide?
N-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)methyl]-3,3-dimethylpiperidine-2-carboxamide is sourced from PubChem (CID 114119268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).