[4-(morpholine-4-carbonyl)piperazin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone

C18H26N4O3S — CID 45204442

IUPAC[4-(morpholine-4-carbonyl)piperazin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(C2CCCN2)s1)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H26N4O3S/c23-17(16-4-3-15(26-16)14-2-1-5-19-14)20-6-8-21(9-7-20)18(24)22-10-12-25-13-11-22/h3-4,14,19H,1-2,5-13H2
InChIKeyZBHVSALIKYRAJN-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.38
Rot. Bonds2

About [4-(morpholine-4-carbonyl)piperazin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone

[4-(morpholine-4-carbonyl)piperazin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone (PubChem CID 45204442) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is [4-(morpholine-4-carbonyl)piperazin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-(morpholine-4-carbonyl)piperazin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
PubChem CID45204442
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC Name[4-(morpholine-4-carbonyl)piperazin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone
SMILESO=C(c1ccc(C2CCCN2)s1)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H26N4O3S/c23-17(16-4-3-15(26-16)14-2-1-5-19-14)20-6-8-21(9-7-20)18(24)22-10-12-25-13-11-22/h3-4,14,19H,1-2,5-13H2
InChIKeyZBHVSALIKYRAJN-UHFFFAOYSA-N
XLogP1.38
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(morpholine-4-carbonyl)piperazin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone?
The IUPAC name of [4-(morpholine-4-carbonyl)piperazin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone (CID 45204442) is [4-(morpholine-4-carbonyl)piperazin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone.
What is the SMILES notation for [4-(morpholine-4-carbonyl)piperazin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone?
The canonical SMILES for [4-(morpholine-4-carbonyl)piperazin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone is O=C(c1ccc(C2CCCN2)s1)N1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [4-(morpholine-4-carbonyl)piperazin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone?
The InChIKey is ZBHVSALIKYRAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c23-17(16-4-3-15(26-16)14-2-1-5-19-14)20-6-8-21(9-7-20)18(24)22-10-12-25-13-11-22/h3-4,14,19H,1-2,5-13H2.
What are the key properties of [4-(morpholine-4-carbonyl)piperazin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone?
[4-(morpholine-4-carbonyl)piperazin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone has a molecular weight of 378.50 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(morpholine-4-carbonyl)piperazin-1-yl]-(5-pyrrolidin-2-ylthiophen-2-yl)methanone is sourced from PubChem (CID 45204442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).