N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride

C13H27ClN2O2 — CID 120888970

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride
SMILESCOCC1(CNC(=O)CC(C)C)CCNCC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-11(2)8-12(16)15-9-13(10-17-3)4-6-14-7-5-13;/h11,14H,4-10H2,1-3H3,(H,15,16);1H
InChIKeyMTKNYTCXDXLBPX-UHFFFAOYSA-N
MW278.82 g/mol
LogP1.59
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride (PubChem CID 120888970) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride
PubChem CID120888970
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride
SMILESCOCC1(CNC(=O)CC(C)C)CCNCC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-11(2)8-12(16)15-9-13(10-17-3)4-6-14-7-5-13;/h11,14H,4-10H2,1-3H3,(H,15,16);1H
InChIKeyMTKNYTCXDXLBPX-UHFFFAOYSA-N
XLogP1.59
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4,4-trimethylpentanamide
CID 120890413
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-propan-2-yloxypropanamide;hydrochloride
CID 120891438
3-(4-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]butanamide;hydrochloride
CID 120889158
N-[4-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120891396
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,3-diphenylpropanamide
CID 120888993
2-(diethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891332
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 120887469
N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide;hydrochloride
CID 120891835
2-(dimethylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide
CID 120891952
3-(2-methoxyethoxy)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide
CID 120888133
N-[2-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 120891836

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride (CID 120888970) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride is COCC1(CNC(=O)CC(C)C)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride?
The InChIKey is MTKNYTCXDXLBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-11(2)8-12(16)15-9-13(10-17-3)4-6-14-7-5-13;/h11,14H,4-10H2,1-3H3,(H,15,16);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide;hydrochloride is sourced from PubChem (CID 120888970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).