4-amino-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylbutanamide

C12H25N3O2 — CID 107391498

IUPAC4-amino-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CC(CN)N1CCCC(C)(OC)C1
InChIInChI=1S/C12H25N3O2/c1-12(17-3)5-4-6-15(9-12)10(8-13)7-11(16)14-2/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyHFGVONULUHRSOV-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.05
Rot. Bonds5

About 4-amino-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylbutanamide

4-amino-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylbutanamide (PubChem CID 107391498) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-amino-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylbutanamide
PubChem CID107391498
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name4-amino-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CC(CN)N1CCCC(C)(OC)C1
InChIInChI=1S/C12H25N3O2/c1-12(17-3)5-4-6-15(9-12)10(8-13)7-11(16)14-2/h10H,4-9,13H2,1-3H3,(H,14,16)
InChIKeyHFGVONULUHRSOV-UHFFFAOYSA-N
XLogP-0.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-(3,3-dimethylpiperidin-1-yl)-N-propylbutanamide
CID 66427408
4-amino-3-(7,7-dimethyl-1,4-thiazepan-4-yl)-N-methylbutanamide
CID 107454308
3-methoxy-2-(3-methoxy-3-methylpiperidin-1-yl)propanoic acid
CID 107393476
4-amino-3-(4-tert-butylazepan-1-yl)-N-methylbutanamide
CID 66428208
(3S)-3-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)-5-methylhexan-1-one
CID 107392505
2-cycloheptyl-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107391216
2-hydroxyethyl 3-methoxy-3-methylpiperidine-1-carboxylate
CID 107395946
2-(aminomethyl)-1-(3-methoxy-3-methylpiperidin-1-yl)butan-1-one
CID 107391572
3-amino-2-(3,3-dimethylpiperidin-1-yl)propan-1-ol
CID 104711025
4-amino-N-cyclopropyl-3-piperidin-1-ylbutanamide
CID 66431608
2-(3-methoxy-3-methylpiperidin-1-yl)sulfonylpropan-1-amine
CID 107392208
4-(3-methoxy-3-methylpiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 107394689

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylbutanamide?
The IUPAC name of 4-amino-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylbutanamide (CID 107391498) is 4-amino-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-amino-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-amino-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylbutanamide is CNC(=O)CC(CN)N1CCCC(C)(OC)C1.
What is the InChIKey of 4-amino-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylbutanamide?
The InChIKey is HFGVONULUHRSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-12(17-3)5-4-6-15(9-12)10(8-13)7-11(16)14-2/h10H,4-9,13H2,1-3H3,(H,14,16).
What are the key properties of 4-amino-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylbutanamide?
4-amino-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylbutanamide has a molecular weight of 243.35 g/mol, XLogP of -0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-methoxy-3-methylpiperidin-1-yl)-N-methylbutanamide is sourced from PubChem (CID 107391498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).