4-amino-3-[3-(dimethylamino)piperidin-1-yl]-N-ethylbutanamide

C13H28N4O — CID 66426952

IUPAC4-amino-3-[3-(dimethylamino)piperidin-1-yl]-N-ethylbutanamide
SMILESCCNC(=O)CC(CN)N1CCCC(N(C)C)C1
InChIInChI=1S/C13H28N4O/c1-4-15-13(18)8-12(9-14)17-7-5-6-11(10-17)16(2)3/h11-12H,4-10,14H2,1-3H3,(H,15,18)
InChIKeyDMCMXMVAKGCGBZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.13
Rot. Bonds6

About 4-amino-3-[3-(dimethylamino)piperidin-1-yl]-N-ethylbutanamide

4-amino-3-[3-(dimethylamino)piperidin-1-yl]-N-ethylbutanamide (PubChem CID 66426952) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 4-amino-3-[3-(dimethylamino)piperidin-1-yl]-N-ethylbutanamide.

Molecular Properties

Compound Name4-amino-3-[3-(dimethylamino)piperidin-1-yl]-N-ethylbutanamide
PubChem CID66426952
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name4-amino-3-[3-(dimethylamino)piperidin-1-yl]-N-ethylbutanamide
SMILESCCNC(=O)CC(CN)N1CCCC(N(C)C)C1
InChIInChI=1S/C13H28N4O/c1-4-15-13(18)8-12(9-14)17-7-5-6-11(10-17)16(2)3/h11-12H,4-10,14H2,1-3H3,(H,15,18)
InChIKeyDMCMXMVAKGCGBZ-UHFFFAOYSA-N
XLogP-0.13
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[3-(dimethylamino)piperidin-1-yl]-N-ethylbutanamide?
The IUPAC name of 4-amino-3-[3-(dimethylamino)piperidin-1-yl]-N-ethylbutanamide (CID 66426952) is 4-amino-3-[3-(dimethylamino)piperidin-1-yl]-N-ethylbutanamide.
What is the SMILES notation for 4-amino-3-[3-(dimethylamino)piperidin-1-yl]-N-ethylbutanamide?
The canonical SMILES for 4-amino-3-[3-(dimethylamino)piperidin-1-yl]-N-ethylbutanamide is CCNC(=O)CC(CN)N1CCCC(N(C)C)C1.
What is the InChIKey of 4-amino-3-[3-(dimethylamino)piperidin-1-yl]-N-ethylbutanamide?
The InChIKey is DMCMXMVAKGCGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-4-15-13(18)8-12(9-14)17-7-5-6-11(10-17)16(2)3/h11-12H,4-10,14H2,1-3H3,(H,15,18).
What are the key properties of 4-amino-3-[3-(dimethylamino)piperidin-1-yl]-N-ethylbutanamide?
4-amino-3-[3-(dimethylamino)piperidin-1-yl]-N-ethylbutanamide has a molecular weight of 256.39 g/mol, XLogP of -0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[3-(dimethylamino)piperidin-1-yl]-N-ethylbutanamide is sourced from PubChem (CID 66426952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).