3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide

C13H28N4O — CID 54873923

IUPAC3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN(C)CCN(C(=O)CCN)C1CCN(C)CC1
InChIInChI=1S/C13H28N4O/c1-15(2)10-11-17(13(18)4-7-14)12-5-8-16(3)9-6-12/h12H,4-11,14H2,1-3H3
InChIKeyOFCAXGIUIDGMSM-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.18
Rot. Bonds6

About 3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide

3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 54873923) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID54873923
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN(C)CCN(C(=O)CCN)C1CCN(C)CC1
InChIInChI=1S/C13H28N4O/c1-15(2)10-11-17(13(18)4-7-14)12-5-8-16(3)9-6-12/h12H,4-11,14H2,1-3H3
InChIKeyOFCAXGIUIDGMSM-UHFFFAOYSA-N
XLogP-0.18
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide (CID 54873923) is 3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide is CN(C)CCN(C(=O)CCN)C1CCN(C)CC1.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is OFCAXGIUIDGMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-15(2)10-11-17(13(18)4-7-14)12-5-8-16(3)9-6-12/h12H,4-11,14H2,1-3H3.
What are the key properties of 3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide?
3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 256.39 g/mol, XLogP of -0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)ethyl]-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 54873923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).