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

C16H25N5O4 — CID 57151082

IUPAC2-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCCC1C(=O)CN1CCN(C(=O)C2CCC(=O)N2)CC1
InChIInChI=1S/C16H25N5O4/c17-16(25)21-5-1-2-12(21)13(22)10-19-6-8-20(9-7-19)15(24)11-3-4-14(23)18-11/h11-12H,1-10H2,(H2,17,25)(H,18,23)
InChIKeyCYBQJYLWUUZIQV-UHFFFAOYSA-N
MW351.41 g/mol
LogP-1.48
Rot. Bonds4

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

2-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-1-carboxamide (PubChem CID 57151082) has the molecular formula C16H25N5O4 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-1-carboxamide
PubChem CID57151082
Molecular FormulaC16H25N5O4
Molecular Weight351.41 g/mol
Exact Mass351.19
IUPAC Name2-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-1-carboxamide
SMILESNC(=O)N1CCCC1C(=O)CN1CCN(C(=O)C2CCC(=O)N2)CC1
InChIInChI=1S/C16H25N5O4/c17-16(25)21-5-1-2-12(21)13(22)10-19-6-8-20(9-7-19)15(24)11-3-4-14(23)18-11/h11-12H,1-10H2,(H2,17,25)(H,18,23)
InChIKeyCYBQJYLWUUZIQV-UHFFFAOYSA-N
XLogP-1.48
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 ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-1-carboxamide (CID 57151082) is 2-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-1-carboxamide is NC(=O)N1CCCC1C(=O)CN1CCN(C(=O)C2CCC(=O)N2)CC1.
What is the InChIKey of 2-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-1-carboxamide?
The InChIKey is CYBQJYLWUUZIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O4/c17-16(25)21-5-1-2-12(21)13(22)10-19-6-8-20(9-7-19)15(24)11-3-4-14(23)18-11/h11-12H,1-10H2,(H2,17,25)(H,18,23).
What are the key properties of 2-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-1-carboxamide?
2-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of -1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(5-oxopyrrolidine-2-carbonyl)piperazin-1-yl]acetyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 57151082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).