2-(dimethylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide

C15H31N3O2 — CID 120891952

IUPAC2-(dimethylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide
SMILESCOCC1(CNC(=O)C(C(C)C)N(C)C)CCNCC1
InChIInChI=1S/C15H31N3O2/c1-12(2)13(18(3)4)14(19)17-10-15(11-20-5)6-8-16-9-7-15/h12-13,16H,6-11H2,1-5H3,(H,17,19)
InChIKeyHQYPFTSULFNSJT-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.70
Rot. Bonds7

About 2-(dimethylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide

2-(dimethylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide (PubChem CID 120891952) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide
PubChem CID120891952
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name2-(dimethylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide
SMILESCOCC1(CNC(=O)C(C(C)C)N(C)C)CCNCC1
InChIInChI=1S/C15H31N3O2/c1-12(2)13(18(3)4)14(19)17-10-15(11-20-5)6-8-16-9-7-15/h12-13,16H,6-11H2,1-5H3,(H,17,19)
InChIKeyHQYPFTSULFNSJT-UHFFFAOYSA-N
XLogP0.70
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-methoxyacetyl)amino]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide
CID 120890091
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-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
2-chloro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 120889665
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 120891077
N-[(2S)-1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-1-oxopropan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 120889512
4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 120891910
2-(diethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891332
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylmethoxypropanamide
CID 120890807
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenylbutanamide
CID 120887701

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide?
The IUPAC name of 2-(dimethylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide (CID 120891952) is 2-(dimethylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide.
What is the SMILES notation for 2-(dimethylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide?
The canonical SMILES for 2-(dimethylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide is COCC1(CNC(=O)C(C(C)C)N(C)C)CCNCC1.
What is the InChIKey of 2-(dimethylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide?
The InChIKey is HQYPFTSULFNSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-12(2)13(18(3)4)14(19)17-10-15(11-20-5)6-8-16-9-7-15/h12-13,16H,6-11H2,1-5H3,(H,17,19).
What are the key properties of 2-(dimethylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide?
2-(dimethylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide has a molecular weight of 285.43 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbutanamide is sourced from PubChem (CID 120891952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).