(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide

C12H25N3O — CID 94166116

IUPAC(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
SMILESCCC[C@@H](N)C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C12H25N3O/c1-4-5-11(13)12(16)15(3)10-6-8-14(2)9-7-10/h10-11H,4-9,13H2,1-3H3/t11-/m1/s1
InChIKeyNUFHAWMWKHLMAH-LLVKDONJSA-N
MW227.35 g/mol
LogP0.67
Rot. Bonds4

About (2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide

(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide (PubChem CID 94166116) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is (2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
PubChem CID94166116
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
SMILESCCC[C@@H](N)C(=O)N(C)C1CCN(C)CC1
InChIInChI=1S/C12H25N3O/c1-4-5-11(13)12(16)15(3)10-6-8-14(2)9-7-10/h10-11H,4-9,13H2,1-3H3/t11-/m1/s1
InChIKeyNUFHAWMWKHLMAH-LLVKDONJSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 60779990
(2R)-2-amino-N-cyclobutyl-N-methylpentanamide
CID 103797073
(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)-4-methylsulfanylbutanamide
CID 104906812
2-amino-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide
CID 81082304
2-amino-3-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 81082211
2-amino-N-methyl-N-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]pentanamide;trihydrochloride
CID 119903137
(2S)-2-amino-N-cyclopentyl-N-methylhexanamide
CID 103831134
2-amino-1-(1-methylpiperidin-4-yl)pentan-1-one
CID 155783343
2-amino-N-methyl-N-(3-methylcyclohexyl)pentanamide;hydrochloride
CID 119285987
(2R)-2-amino-N,4-dimethyl-N-(1-propylpiperidin-4-yl)pentanamide
CID 93469457
3-amino-4-[(1-ethylpiperidin-4-yl)-methylamino]-4-oxobutanoic acid
CID 64896459
2-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide
CID 119325725

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide?
The IUPAC name of (2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide (CID 94166116) is (2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide.
What is the SMILES notation for (2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide?
The canonical SMILES for (2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide is CCC[C@@H](N)C(=O)N(C)C1CCN(C)CC1.
What is the InChIKey of (2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide?
The InChIKey is NUFHAWMWKHLMAH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-5-11(13)12(16)15(3)10-6-8-14(2)9-7-10/h10-11H,4-9,13H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide?
(2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide has a molecular weight of 227.35 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-methyl-N-(1-methylpiperidin-4-yl)pentanamide is sourced from PubChem (CID 94166116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).