N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride

C19H31ClN2O3 — CID 120671025

IUPACN-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride
SMILESCCOc1ccc(C(=O)NCC2NCCCC2(C)C)cc1OCC.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-5-23-15-9-8-14(12-16(15)24-6-2)18(22)21-13-17-19(3,4)10-7-11-20-17;/h8-9,12,17,20H,5-7,10-11,13H2,1-4H3,(H,21,22);1H
InChIKeyKBRMYQVOBNSHLQ-UHFFFAOYSA-N
MW370.92 g/mol
LogP3.41
Rot. Bonds7

About N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride

N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride (PubChem CID 120671025) has the molecular formula C19H31ClN2O3 and a molecular weight of 370.92 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride
PubChem CID120671025
Molecular FormulaC19H31ClN2O3
Molecular Weight370.92 g/mol
Exact Mass370.20
IUPAC NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride
SMILESCCOc1ccc(C(=O)NCC2NCCCC2(C)C)cc1OCC.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-5-23-15-9-8-14(12-16(15)24-6-2)18(22)21-13-17-19(3,4)10-7-11-20-17;/h8-9,12,17,20H,5-7,10-11,13H2,1-4H3,(H,21,22);1H
InChIKeyKBRMYQVOBNSHLQ-UHFFFAOYSA-N
XLogP3.41
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,3-dimethylpiperidin-2-yl)methyl]benzamide;hydrochloride
CID 120670782
N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 120671037
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trimethoxybenzamide
CID 120670977
3-ethoxy-4-(2-phenoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514257
N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-3,4-diethoxybenzamide
CID 7423517
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120670985
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 120670803
N-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride
CID 120670834
4-ethoxy-3-nitro-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119512043
N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methylpyridine-2-carboxamide;dihydrochloride
CID 120671077
N-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride
CID 120670926
2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119179211

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride?
The IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride (CID 120671025) is N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride?
The canonical SMILES for N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride is CCOc1ccc(C(=O)NCC2NCCCC2(C)C)cc1OCC.Cl.
What is the InChIKey of N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride?
The InChIKey is KBRMYQVOBNSHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3.ClH/c1-5-23-15-9-8-14(12-16(15)24-6-2)18(22)21-13-17-19(3,4)10-7-11-20-17;/h8-9,12,17,20H,5-7,10-11,13H2,1-4H3,(H,21,22);1H.
What are the key properties of N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride?
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride is sourced from PubChem (CID 120671025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).