2-(dimethylamino)-1-[4-(4-methoxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone

C14H26N4O3 — CID 61214799

IUPAC2-(dimethylamino)-1-[4-(4-methoxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
SMILESCOC1CNC(C(=O)N2CCN(C(=O)CN(C)C)CC2)C1
InChIInChI=1S/C14H26N4O3/c1-16(2)10-13(19)17-4-6-18(7-5-17)14(20)12-8-11(21-3)9-15-12/h11-12,15H,4-10H2,1-3H3
InChIKeyUAWFQHXCEGJHKK-UHFFFAOYSA-N
MW298.39 g/mol
LogP-1.40
Rot. Bonds4

About 2-(dimethylamino)-1-[4-(4-methoxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone

2-(dimethylamino)-1-[4-(4-methoxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 61214799) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-(4-methoxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-(4-methoxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID61214799
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name2-(dimethylamino)-1-[4-(4-methoxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
SMILESCOC1CNC(C(=O)N2CCN(C(=O)CN(C)C)CC2)C1
InChIInChI=1S/C14H26N4O3/c1-16(2)10-13(19)17-4-6-18(7-5-17)14(20)12-8-11(21-3)9-15-12/h11-12,15H,4-10H2,1-3H3
InChIKeyUAWFQHXCEGJHKK-UHFFFAOYSA-N
XLogP-1.40
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-(4-methoxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[4-(4-methoxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone (CID 61214799) is 2-(dimethylamino)-1-[4-(4-methoxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[4-(4-methoxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[4-(4-methoxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone is COC1CNC(C(=O)N2CCN(C(=O)CN(C)C)CC2)C1.
What is the InChIKey of 2-(dimethylamino)-1-[4-(4-methoxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is UAWFQHXCEGJHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-16(2)10-13(19)17-4-6-18(7-5-17)14(20)12-8-11(21-3)9-15-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-[4-(4-methoxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone?
2-(dimethylamino)-1-[4-(4-methoxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 298.39 g/mol, XLogP of -1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-(4-methoxypyrrolidine-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 61214799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).