2-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide

C16H32N4O — CID 97028839

IUPAC2-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCCN1CCN([C@@H]2CCN(CC(=O)N(C)C(C)C)C2)CC1
InChIInChI=1S/C16H32N4O/c1-5-18-8-10-20(11-9-18)15-6-7-19(12-15)13-16(21)17(4)14(2)3/h14-15H,5-13H2,1-4H3/t15-/m1/s1
InChIKeyKWHHRTCRPAPDKX-OAHLLOKOSA-N
MW296.46 g/mol
LogP0.56
Rot. Bonds5

About 2-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide

2-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 97028839) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID97028839
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name2-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCCN1CCN([C@@H]2CCN(CC(=O)N(C)C(C)C)C2)CC1
InChIInChI=1S/C16H32N4O/c1-5-18-8-10-20(11-9-18)15-6-7-19(12-15)13-16(21)17(4)14(2)3/h14-15H,5-13H2,1-4H3/t15-/m1/s1
InChIKeyKWHHRTCRPAPDKX-OAHLLOKOSA-N
XLogP0.56
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 ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide (CID 97028839) is 2-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide is CCN1CCN([C@@H]2CCN(CC(=O)N(C)C(C)C)C2)CC1.
What is the InChIKey of 2-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is KWHHRTCRPAPDKX-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H32N4O/c1-5-18-8-10-20(11-9-18)15-6-7-19(12-15)13-16(21)17(4)14(2)3/h14-15H,5-13H2,1-4H3/t15-/m1/s1.
What are the key properties of 2-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide?
2-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 296.46 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 97028839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).