2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide

C11H22N2O — CID 130763419

IUPAC2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide
SMILESCCC(C)C(=O)N[C@@H]1CCCN[C@@H]1C
InChIInChI=1S/C11H22N2O/c1-4-8(2)11(14)13-10-6-5-7-12-9(10)3/h8-10,12H,4-7H2,1-3H3,(H,13,14)/t8?,9-,10-/m1/s1
InChIKeyJWBKZBHNCKYYOW-VXRWAFEHSA-N
MW198.31 g/mol
LogP1.29
Rot. Bonds3

About 2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide

2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide (PubChem CID 130763419) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide
PubChem CID130763419
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide
SMILESCCC(C)C(=O)N[C@@H]1CCCN[C@@H]1C
InChIInChI=1S/C11H22N2O/c1-4-8(2)11(14)13-10-6-5-7-12-9(10)3/h8-10,12H,4-7H2,1-3H3,(H,13,14)/t8?,9-,10-/m1/s1
InChIKeyJWBKZBHNCKYYOW-VXRWAFEHSA-N
XLogP1.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-N-(2-methylpiperidin-3-yl)butanamide
CID 130921760
N-(2-methylpiperidin-3-yl)-2-methylsulfanylpropanamide
CID 120576561
2-(cyclopentylmethyl)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120573985
4-(2-fluorophenyl)-2-methyl-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120576912
2-cycloheptyloxy-N-(2-methylpiperidin-3-yl)propanamide
CID 120576393
2-(methanesulfonamido)-N-(2-methylpiperidin-3-yl)propanamide;hydrochloride
CID 120575422
2-(carbamoylamino)-N-(2-methylpiperidin-3-yl)hexanamide;hydrochloride
CID 120577618
3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide
CID 120577674
2-methyl-N-(2-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 120575190
N-(2-methylpiperidin-3-yl)-2-propan-2-yloxyacetamide
CID 112602527
3-methyl-2-(3-methylbutanoylamino)-N-(2-methylpiperidin-3-yl)butanamide;hydrochloride
CID 120577673
2-methyl-N-(2-methyl-6-oxopiperidin-3-yl)butanamide
CID 134565833

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide?
The IUPAC name of 2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide (CID 130763419) is 2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide.
What is the SMILES notation for 2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide?
The canonical SMILES for 2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide is CCC(C)C(=O)N[C@@H]1CCCN[C@@H]1C.
What is the InChIKey of 2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide?
The InChIKey is JWBKZBHNCKYYOW-VXRWAFEHSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-8(2)11(14)13-10-6-5-7-12-9(10)3/h8-10,12H,4-7H2,1-3H3,(H,13,14)/t8?,9-,10-/m1/s1.
What are the key properties of 2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide?
2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide has a molecular weight of 198.31 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R,3R)-2-methylpiperidin-3-yl]butanamide is sourced from PubChem (CID 130763419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).