N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide

C17H26N2O2 — CID 95210574

IUPACN-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NC[C@H]1CCCN(C)C1
InChIInChI=1S/C17H26N2O2/c1-3-11-21-16-9-5-4-8-15(16)17(20)18-12-14-7-6-10-19(2)13-14/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyOPPYCYCTGWSONI-CQSZACIVSA-N
MW290.41 g/mol
LogP2.55
Rot. Bonds6

About N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide

N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide (PubChem CID 95210574) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide
PubChem CID95210574
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)NC[C@H]1CCCN(C)C1
InChIInChI=1S/C17H26N2O2/c1-3-11-21-16-9-5-4-8-15(16)17(20)18-12-14-7-6-10-19(2)13-14/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,18,20)/t14-/m1/s1
InChIKeyOPPYCYCTGWSONI-CQSZACIVSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(1-methylpiperidin-3-yl)methylamino]ethoxy]benzoic acid
CID 103244398
N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63108415
2-(2-methylphenyl)-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzamide
CID 95207411
N-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-2-ethoxybenzamide
CID 3232201
2-bromo-3-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 113339088
2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide
CID 95213688
(1,4-dimethylpiperazin-2-yl)-(2-propoxyphenyl)methanone
CID 104659366
2-(ethylamino)-3-fluoro-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 62661731
2-propoxy-N-propylbenzamide
CID 58831728
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-3-phenoxypropanamide
CID 95209551
2-(dimethylamino)-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110476079
2-acetyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 124758814

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide?
The IUPAC name of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide (CID 95210574) is N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide.
What is the SMILES notation for N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide?
The canonical SMILES for N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide is CCCOc1ccccc1C(=O)NC[C@H]1CCCN(C)C1.
What is the InChIKey of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide?
The InChIKey is OPPYCYCTGWSONI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-11-21-16-9-5-4-8-15(16)17(20)18-12-14-7-6-10-19(2)13-14/h4-5,8-9,14H,3,6-7,10-13H2,1-2H3,(H,18,20)/t14-/m1/s1.
What are the key properties of N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide?
N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide has a molecular weight of 290.41 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-propoxybenzamide is sourced from PubChem (CID 95210574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).