2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N,N-dipropylacetamide

C17H35N3O — CID 60542861

IUPAC2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN1CCC(CCN(C)C)CC1
InChIInChI=1S/C17H35N3O/c1-5-10-20(11-6-2)17(21)15-19-13-8-16(9-14-19)7-12-18(3)4/h16H,5-15H2,1-4H3
InChIKeyCUDBYQZJFUSDNK-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.30
Rot. Bonds9

About 2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N,N-dipropylacetamide

2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N,N-dipropylacetamide (PubChem CID 60542861) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N,N-dipropylacetamide
PubChem CID60542861
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN1CCC(CCN(C)C)CC1
InChIInChI=1S/C17H35N3O/c1-5-10-20(11-6-2)17(21)15-19-13-8-16(9-14-19)7-12-18(3)4/h16H,5-15H2,1-4H3
InChIKeyCUDBYQZJFUSDNK-UHFFFAOYSA-N
XLogP2.30
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N,N-dipropylacetamide (CID 60542861) is 2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN1CCC(CCN(C)C)CC1.
What is the InChIKey of 2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N,N-dipropylacetamide?
The InChIKey is CUDBYQZJFUSDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-5-10-20(11-6-2)17(21)15-19-13-8-16(9-14-19)7-12-18(3)4/h16H,5-15H2,1-4H3.
What are the key properties of 2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N,N-dipropylacetamide?
2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N,N-dipropylacetamide has a molecular weight of 297.49 g/mol, XLogP of 2.30, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 60542861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).