1-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-2-carboxamide

C16H25N5O4 — CID 67916876

IUPAC1-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)CN1CCN(C(=O)C2CCC(=O)N2)CC1
InChIInChI=1S/C16H25N5O4/c17-15(24)12-2-1-5-21(12)14(23)10-19-6-8-20(9-7-19)16(25)11-3-4-13(22)18-11/h11-12H,1-10H2,(H2,17,24)(H,18,22)
InChIKeyZEHVPSQLSGTQLK-UHFFFAOYSA-N
MW351.41 g/mol
LogP-2.11
Rot. Bonds4

About 1-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-2-carboxamide

1-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-2-carboxamide (PubChem CID 67916876) has the molecular formula C16H25N5O4 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-2-carboxamide
PubChem CID67916876
Molecular FormulaC16H25N5O4
Molecular Weight351.41 g/mol
Exact Mass351.19
IUPAC Name1-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1C(=O)CN1CCN(C(=O)C2CCC(=O)N2)CC1
InChIInChI=1S/C16H25N5O4/c17-15(24)12-2-1-5-21(12)14(23)10-19-6-8-20(9-7-19)16(25)11-3-4-13(22)18-11/h11-12H,1-10H2,(H2,17,24)(H,18,22)
InChIKeyZEHVPSQLSGTQLK-UHFFFAOYSA-N
XLogP-2.11
TPSA116.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 5-2.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-2-carboxamide (CID 67916876) is 1-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1C(=O)CN1CCN(C(=O)C2CCC(=O)N2)CC1.
What is the InChIKey of 1-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-2-carboxamide?
The InChIKey is ZEHVPSQLSGTQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O4/c17-15(24)12-2-1-5-21(12)14(23)10-19-6-8-20(9-7-19)16(25)11-3-4-13(22)18-11/h11-12H,1-10H2,(H2,17,24)(H,18,22).
What are the key properties of 1-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-2-carboxamide?
1-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of -2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 67916876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).