2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide

C15H22N2O3 — CID 124516888

IUPAC2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCNC[C@H]2C)c(OC)c1
InChIInChI=1S/C15H22N2O3/c1-10-9-16-7-6-13(10)17-15(18)12-5-4-11(19-2)8-14(12)20-3/h4-5,8,10,13,16H,6-7,9H2,1-3H3,(H,17,18)/t10-,13+/m1/s1
InChIKeyVUOLDKORNKBSSV-MFKMUULPSA-N
MW278.35 g/mol
LogP1.43
Rot. Bonds4

About 2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide

2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide (PubChem CID 124516888) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide.

Molecular Properties

Compound Name2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide
PubChem CID124516888
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H]2CCNC[C@H]2C)c(OC)c1
InChIInChI=1S/C15H22N2O3/c1-10-9-16-7-6-13(10)17-15(18)12-5-4-11(19-2)8-14(12)20-3/h4-5,8,10,13,16H,6-7,9H2,1-3H3,(H,17,18)/t10-,13+/m1/s1
InChIKeyVUOLDKORNKBSSV-MFKMUULPSA-N
XLogP1.43
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dimethoxy-N-(4-methylpiperidin-3-yl)benzamide
CID 63326134
2,4-dimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 40793133
2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide
CID 120558034
5-chloro-2-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556533
N-cyclopropyl-2,4-dimethoxybenzamide
CID 4576292
3,5-dimethoxy-4-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556165
2,4-difluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79887319
4-ethoxy-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide
CID 120556500
4-bromo-2-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 120554553
2-(3-methoxyphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556859
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79886711
5-bromo-4-methoxy-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120557472

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide?
The IUPAC name of 2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide (CID 124516888) is 2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide.
What is the SMILES notation for 2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide?
The canonical SMILES for 2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide is COc1ccc(C(=O)N[C@H]2CCNC[C@H]2C)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide?
The InChIKey is VUOLDKORNKBSSV-MFKMUULPSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-9-16-7-6-13(10)17-15(18)12-5-4-11(19-2)8-14(12)20-3/h4-5,8,10,13,16H,6-7,9H2,1-3H3,(H,17,18)/t10-,13+/m1/s1.
What are the key properties of 2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide?
2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide has a molecular weight of 278.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide is sourced from PubChem (CID 124516888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).