2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide

C16H32N4O — CID 122494877

IUPAC2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCCN1CCN(CC2CCN(CC(=O)N(C)C)CC2)CC1
InChIInChI=1S/C16H32N4O/c1-4-18-9-11-20(12-10-18)13-15-5-7-19(8-6-15)14-16(21)17(2)3/h15H,4-14H2,1-3H3
InChIKeyLKVGRILRXSJLBI-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.42
Rot. Bonds5

About 2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide

2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 122494877) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide
PubChem CID122494877
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide
SMILESCCN1CCN(CC2CCN(CC(=O)N(C)C)CC2)CC1
InChIInChI=1S/C16H32N4O/c1-4-18-9-11-20(12-10-18)13-15-5-7-19(8-6-15)14-16(21)17(2)3/h15H,4-14H2,1-3H3
InChIKeyLKVGRILRXSJLBI-UHFFFAOYSA-N
XLogP0.42
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide (CID 122494877) is 2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide is CCN1CCN(CC2CCN(CC(=O)N(C)C)CC2)CC1.
What is the InChIKey of 2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is LKVGRILRXSJLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-4-18-9-11-20(12-10-18)13-15-5-7-19(8-6-15)14-16(21)17(2)3/h15H,4-14H2,1-3H3.
What are the key properties of 2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide?
2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 296.46 g/mol, XLogP of 0.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 122494877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).