2-amino-4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide

C13H27N3O2 — CID 62476274

IUPAC2-amino-4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide
SMILESCOCCC(N)C(=O)NCCN1CCC(C)CC1
InChIInChI=1S/C13H27N3O2/c1-11-3-7-16(8-4-11)9-6-15-13(17)12(14)5-10-18-2/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyNRHMZSRNKIWHQV-UHFFFAOYSA-N
MW257.38 g/mol
LogP0.20
Rot. Bonds7

About 2-amino-4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide

2-amino-4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide (PubChem CID 62476274) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide
PubChem CID62476274
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC Name2-amino-4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide
SMILESCOCCC(N)C(=O)NCCN1CCC(C)CC1
InChIInChI=1S/C13H27N3O2/c1-11-3-7-16(8-4-11)9-6-15-13(17)12(14)5-10-18-2/h11-12H,3-10,14H2,1-2H3,(H,15,17)
InChIKeyNRHMZSRNKIWHQV-UHFFFAOYSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61241466
2,2-difluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]acetamide
CID 103515570
(2R)-2-amino-N-[3-(4-methylpiperidin-1-yl)propyl]butanamide
CID 79023285
methyl 2-amino-4-(4-methylazepan-1-yl)butanoate
CID 63623785
(2R)-2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-3-phenylpropanamide
CID 78984703
2-amino-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]butanamide
CID 62475604
1-[[(2-amino-4-methoxybutanoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442622
2-amino-N-(2-hydroxyethyl)-4-methoxybutanamide
CID 62472987
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
2-amino-4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide
CID 62472672
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 61241817
(2S)-2-amino-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]butanamide
CID 119895445

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide?
The IUPAC name of 2-amino-4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide (CID 62476274) is 2-amino-4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide is COCCC(N)C(=O)NCCN1CCC(C)CC1.
What is the InChIKey of 2-amino-4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide?
The InChIKey is NRHMZSRNKIWHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-11-3-7-16(8-4-11)9-6-15-13(17)12(14)5-10-18-2/h11-12H,3-10,14H2,1-2H3,(H,15,17).
What are the key properties of 2-amino-4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide?
2-amino-4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide has a molecular weight of 257.38 g/mol, XLogP of 0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide is sourced from PubChem (CID 62476274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).