3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide

C17H26N2O4 — CID 119943959

IUPAC3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1cc(CNC(=O)C2(C)CCCNC2)cc(OC)c1OC
InChIInChI=1S/C17H26N2O4/c1-17(6-5-7-18-11-17)16(20)19-10-12-8-13(21-2)15(23-4)14(9-12)22-3/h8-9,18H,5-7,10-11H2,1-4H3,(H,19,20)
InChIKeyDKIXRHPSRMNRFR-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.72
Rot. Bonds6

About 3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide

3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide (PubChem CID 119943959) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
PubChem CID119943959
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide
SMILESCOc1cc(CNC(=O)C2(C)CCCNC2)cc(OC)c1OC
InChIInChI=1S/C17H26N2O4/c1-17(6-5-7-18-11-17)16(20)19-10-12-8-13(21-2)15(23-4)14(9-12)22-3/h8-9,18H,5-7,10-11H2,1-4H3,(H,19,20)
InChIKeyDKIXRHPSRMNRFR-UHFFFAOYSA-N
XLogP1.72
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119674836
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63131521
N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 113357142
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
4-(methoxymethyl)-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 120618507
N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63134873
N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63130190
3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119944291
3-methyl-N-[(2,4,5-trimethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119690622
N-[(4-methoxyphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119673811
N-[(2,5-difluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55236472
2,2-dichloro-1-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 46613000

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide (CID 119943959) is 3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide is COc1cc(CNC(=O)C2(C)CCCNC2)cc(OC)c1OC.
What is the InChIKey of 3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is DKIXRHPSRMNRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-17(6-5-7-18-11-17)16(20)19-10-12-8-13(21-2)15(23-4)14(9-12)22-3/h8-9,18H,5-7,10-11H2,1-4H3,(H,19,20).
What are the key properties of 3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide?
3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119943959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).