N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide

C16H24N2O4 — CID 119708895

IUPACN-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2(OC)CCNCC2)c1OC
InChIInChI=1S/C16H24N2O4/c1-20-13-6-4-5-12(14(13)21-2)11-18-15(19)16(22-3)7-9-17-10-8-16/h4-6,17H,7-11H2,1-3H3,(H,18,19)
InChIKeyKFQQBSVZXYUVSK-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.09
Rot. Bonds6

About N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide

N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119708895) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119708895
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2(OC)CCNCC2)c1OC
InChIInChI=1S/C16H24N2O4/c1-20-13-6-4-5-12(14(13)21-2)11-18-15(19)16(22-3)7-9-17-10-8-16/h4-6,17H,7-11H2,1-3H3,(H,18,19)
InChIKeyKFQQBSVZXYUVSK-UHFFFAOYSA-N
XLogP1.09
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119708894
N-[[2-(difluoromethoxy)phenyl]methyl]-4-methoxypiperidine-4-carboxamide
CID 119700383
1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119281351
4-methoxy-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 119744427
N-[(2,3-dimethoxyphenyl)methyl]-1-(methoxymethyl)cyclopropane-1-carboxamide
CID 74250612
1-amino-N-[(2,3-dimethoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 119281357
N-[[2-[(2-chlorophenoxy)methyl]phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119800235
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119705514
N-[[2-(ethoxymethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119718350
4-methoxy-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119678226
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
4-methoxy-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 119755232

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide (CID 119708895) is N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide is COc1cccc(CNC(=O)C2(OC)CCNCC2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is KFQQBSVZXYUVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-20-13-6-4-5-12(14(13)21-2)11-18-15(19)16(22-3)7-9-17-10-8-16/h4-6,17H,7-11H2,1-3H3,(H,18,19).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119708895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).