N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride

C15H30ClN3O3 — CID 120891835

IUPACN-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCOCC1(CNC(=O)CNC(=O)C(C)(C)C)CCNCC1.Cl
InChIInChI=1S/C15H29N3O3.ClH/c1-14(2,3)13(20)17-9-12(19)18-10-15(11-21-4)5-7-16-8-6-15;/h16H,5-11H2,1-4H3,(H,17,20)(H,18,19);1H
InChIKeyJIWHQOUXBCSBHR-UHFFFAOYSA-N
MW335.88 g/mol
LogP0.70
Rot. Bonds6

About N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride

N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride (PubChem CID 120891835) has the molecular formula C15H30ClN3O3 and a molecular weight of 335.88 g/mol. Its IUPAC name is N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride
PubChem CID120891835
Molecular FormulaC15H30ClN3O3
Molecular Weight335.88 g/mol
Exact Mass335.20
IUPAC NameN-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride
SMILESCOCC1(CNC(=O)CNC(=O)C(C)(C)C)CCNCC1.Cl
InChIInChI=1S/C15H29N3O3.ClH/c1-14(2,3)13(20)17-9-12(19)18-10-15(11-21-4)5-7-16-8-6-15;/h16H,5-11H2,1-4H3,(H,17,20)(H,18,19);1H
InChIKeyJIWHQOUXBCSBHR-UHFFFAOYSA-N
XLogP0.70
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120891836
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride
CID 120888970
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4,4-trimethylpentanamide
CID 120890413
2-(2,6-dimethylanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 120890666
3-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120888133
2-cyclobutyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 114280566
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-methylcyclohexyl)acetamide;hydrochloride
CID 120889892
2-(1-adamantyl)-N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]acetamide
CID 120888648
N-[2-[[1-(hydroxymethyl)cyclopropyl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 80711591
2-(2-methoxyanilino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide
CID 120889693
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yloxypropanamide;hydrochloride
CID 120891438

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride?
The IUPAC name of N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride (CID 120891835) is N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride.
What is the SMILES notation for N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride?
The canonical SMILES for N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride is COCC1(CNC(=O)CNC(=O)C(C)(C)C)CCNCC1.Cl.
What is the InChIKey of N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride?
The InChIKey is JIWHQOUXBCSBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3.ClH/c1-14(2,3)13(20)17-9-12(19)18-10-15(11-21-4)5-7-16-8-6-15;/h16H,5-11H2,1-4H3,(H,17,20)(H,18,19);1H.
What are the key properties of N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride?
N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 0.70, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride is sourced from PubChem (CID 120891835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).