N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide

C16H24N2O2 — CID 63131521

IUPACN-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
SMILESCOCc1cccc(CNC(=O)C2(C)CCCNC2)c1
InChIInChI=1S/C16H24N2O2/c1-16(7-4-8-17-12-16)15(19)18-10-13-5-3-6-14(9-13)11-20-2/h3,5-6,9,17H,4,7-8,10-12H2,1-2H3,(H,18,19)
InChIKeyYFUFAYDXFLYLTG-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.84
Rot. Bonds5

About N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide

N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide (PubChem CID 63131521) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
PubChem CID63131521
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
SMILESCOCc1cccc(CNC(=O)C2(C)CCCNC2)c1
InChIInChI=1S/C16H24N2O2/c1-16(7-4-8-17-12-16)15(19)18-10-13-5-3-6-14(9-13)11-20-2/h3,5-6,9,17H,4,7-8,10-12H2,1-2H3,(H,18,19)
InChIKeyYFUFAYDXFLYLTG-UHFFFAOYSA-N
XLogP1.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide (CID 63131521) is N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide is COCc1cccc(CNC(=O)C2(C)CCCNC2)c1.
What is the InChIKey of N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is YFUFAYDXFLYLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(7-4-8-17-12-16)15(19)18-10-13-5-3-6-14(9-13)11-20-2/h3,5-6,9,17H,4,7-8,10-12H2,1-2H3,(H,18,19).
What are the key properties of N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide?
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63131521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).