(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide

C13H27N3O — CID 103814143

IUPAC(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C13H27N3O/c1-10(2)12(14)13(17)15-7-4-11-5-8-16(3)9-6-11/h10-12H,4-9,14H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyKEUUDIOARBLLSM-LBPRGKRZSA-N
MW241.38 g/mol
LogP0.82
Rot. Bonds5

About (2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide

(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide (PubChem CID 103814143) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
PubChem CID103814143
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
SMILESCC(C)[C@H](N)C(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C13H27N3O/c1-10(2)12(14)13(17)15-7-4-11-5-8-16(3)9-6-11/h10-12H,4-9,14H2,1-3H3,(H,15,17)/t12-/m0/s1
InChIKeyKEUUDIOARBLLSM-LBPRGKRZSA-N
XLogP0.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865894
(2R)-2-amino-N-(2-cyclohexylethyl)-3-methylbutanamide
CID 79012516
(2S)-2-amino-N-[2-(2-cyclopentylethylamino)-2-oxoethyl]-3-methylbutanamide
CID 82961987
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
2-amino-3-hydroxy-N-[2-(1-methylpyrrolidin-3-yl)ethyl]propanamide
CID 115180122
2-(hydroxymethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115186732
2-amino-3-[2-(1-methylpyrrolidin-3-yl)ethylamino]-3-oxopropanoic acid
CID 115179485
(2S)-2-amino-3-methyl-N-[2-[methyl-(1-methylpiperidin-4-yl)amino]-2-oxoethyl]butanamide
CID 82962339
N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 113267480
4-amino-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865945
3-amino-5,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]hexanamide
CID 114515744
(2S)-2-amino-3-methyl-N-(1-methylpyrrolidin-3-yl)butanamide
CID 61465199

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The IUPAC name of (2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide (CID 103814143) is (2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide.
What is the SMILES notation for (2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The canonical SMILES for (2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide is CC(C)[C@H](N)C(=O)NCCC1CCN(C)CC1.
What is the InChIKey of (2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The InChIKey is KEUUDIOARBLLSM-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H27N3O/c1-10(2)12(14)13(17)15-7-4-11-5-8-16(3)9-6-11/h10-12H,4-9,14H2,1-3H3,(H,15,17)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide has a molecular weight of 241.38 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide is sourced from PubChem (CID 103814143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).