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

C12H25N3O2 — CID 62475604

IUPAC2-amino-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]butanamide
SMILESCOCCC(N)C(=O)NCC1CCCN(C)C1
InChIInChI=1S/C12H25N3O2/c1-15-6-3-4-10(9-15)8-14-12(16)11(13)5-7-17-2/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyOULYDCSASHHNJN-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.19
Rot. Bonds6

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

2-amino-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]butanamide (PubChem CID 62475604) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-amino-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]butanamide
PubChem CID62475604
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-amino-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]butanamide
SMILESCOCCC(N)C(=O)NCC1CCCN(C)C1
InChIInChI=1S/C12H25N3O2/c1-15-6-3-4-10(9-15)8-14-12(16)11(13)5-7-17-2/h10-11H,3-9,13H2,1-2H3,(H,14,16)
InChIKeyOULYDCSASHHNJN-UHFFFAOYSA-N
XLogP-0.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-4-methylsulfanylbutanamide
CID 104908284
2-amino-4-methoxy-N-(oxan-3-ylmethyl)butanamide
CID 62473603
2-amino-4-methoxy-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]butanamide
CID 62472672
2,2-difluoro-N-[(1-methylpiperidin-3-yl)methyl]acetamide
CID 103515649
2-amino-N-(cyclobutylmethyl)-3-methoxypropanamide
CID 81080963
3-methoxy-2-[(1-methylpiperidin-3-yl)methylcarbamoylamino]propanoic acid
CID 81084966
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]-5-methoxypentanamide
CID 81083023
2-amino-4-methoxy-N-[(2-methylcyclopentyl)methyl]butanamide
CID 107418374
2-amino-4-methoxy-N-(oxolan-2-ylmethyl)butanamide
CID 62472979
2-amino-4-methoxy-N-[2-(4-methylpiperidin-1-yl)ethyl]butanamide
CID 62476274
(2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 104897742
methyl 2-amino-4-(1-methylpiperidin-3-yl)butanoate
CID 116851548

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]butanamide?
The IUPAC name of 2-amino-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]butanamide (CID 62475604) is 2-amino-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]butanamide.
What is the SMILES notation for 2-amino-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]butanamide?
The canonical SMILES for 2-amino-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]butanamide is COCCC(N)C(=O)NCC1CCCN(C)C1.
What is the InChIKey of 2-amino-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]butanamide?
The InChIKey is OULYDCSASHHNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-15-6-3-4-10(9-15)8-14-12(16)11(13)5-7-17-2/h10-11H,3-9,13H2,1-2H3,(H,14,16).
What are the key properties of 2-amino-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]butanamide?
2-amino-4-methoxy-N-[(1-methylpiperidin-3-yl)methyl]butanamide has a molecular weight of 243.35 g/mol, XLogP of -0.19, 6 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-[(1-methylpiperidin-3-yl)methyl]butanamide is sourced from PubChem (CID 62475604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).