3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide

C17H26N2O3 — CID 120573745

IUPAC3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NC2CCCNC2C)ccc1OC(C)C
InChIInChI=1S/C17H26N2O3/c1-11(2)22-15-8-7-13(10-16(15)21-4)17(20)19-14-6-5-9-18-12(14)3/h7-8,10-12,14,18H,5-6,9H2,1-4H3,(H,19,20)
InChIKeyBJQBUHJVTWLHAP-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.35
Rot. Bonds5

About 3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide

3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide (PubChem CID 120573745) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide
PubChem CID120573745
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)NC2CCCNC2C)ccc1OC(C)C
InChIInChI=1S/C17H26N2O3/c1-11(2)22-15-8-7-13(10-16(15)21-4)17(20)19-14-6-5-9-18-12(14)3/h7-8,10-12,14,18H,5-6,9H2,1-4H3,(H,19,20)
InChIKeyBJQBUHJVTWLHAP-UHFFFAOYSA-N
XLogP2.35
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(1R,2S)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550322
3-methoxy-N-[(1R,2R)-2-methylcyclohexyl]-4-propan-2-yloxybenzamide
CID 51550324
3-bromo-4-methoxy-N-(2-methylpiperidin-3-yl)benzamide
CID 114694855
3-methoxy-N-(2-methylpiperidin-3-yl)-4-prop-2-enoxybenzamide;hydrochloride
CID 120574220
4-methoxy-N-(2-methylpiperidin-3-yl)-3-(methylsulfamoyl)benzamide
CID 120577876
4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573672
(3-methoxy-4-propan-2-yloxyphenyl)-pyrrolidin-2-ylmethanone
CID 82552949
4-bromo-N-(2-methylpiperidin-3-yl)-2-propan-2-yloxybenzamide;hydrochloride
CID 120573474
cis-(1S,3R)-3-[(3-methoxy-4-propan-2-yloxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675150
2-fluoro-4,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576347
4-(difluoromethoxy)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-3-methoxybenzamide
CID 11919951
4-ethoxy-N-(2-methylpiperidin-3-yl)-3-nitrobenzamide;hydrochloride
CID 120577814

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide?
The IUPAC name of 3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide (CID 120573745) is 3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide.
What is the SMILES notation for 3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide?
The canonical SMILES for 3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide is COc1cc(C(=O)NC2CCCNC2C)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide?
The InChIKey is BJQBUHJVTWLHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-11(2)22-15-8-7-13(10-16(15)21-4)17(20)19-14-6-5-9-18-12(14)3/h7-8,10-12,14,18H,5-6,9H2,1-4H3,(H,19,20).
What are the key properties of 3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide?
3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide has a molecular weight of 306.41 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methylpiperidin-3-yl)-4-propan-2-yloxybenzamide is sourced from PubChem (CID 120573745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).