2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]-N-propan-2-ylacetamide

C21H28N4O3 — CID 56887957

IUPAC2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]-N-propan-2-ylacetamide
SMILESCc1cccnc1CN(C(=O)CC1C(=O)NCCN1Cc1ccoc1)C(C)C
InChIInChI=1S/C21H28N4O3/c1-15(2)25(13-18-16(3)5-4-7-22-18)20(26)11-19-21(27)23-8-9-24(19)12-17-6-10-28-14-17/h4-7,10,14-15,19H,8-9,11-13H2,1-3H3,(H,23,27)
InChIKeyJRJBGNCERRQNAN-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.11
Rot. Bonds7

About 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]-N-propan-2-ylacetamide

2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]-N-propan-2-ylacetamide (PubChem CID 56887957) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]-N-propan-2-ylacetamide
PubChem CID56887957
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]-N-propan-2-ylacetamide
SMILESCc1cccnc1CN(C(=O)CC1C(=O)NCCN1Cc1ccoc1)C(C)C
InChIInChI=1S/C21H28N4O3/c1-15(2)25(13-18-16(3)5-4-7-22-18)20(26)11-19-21(27)23-8-9-24(19)12-17-6-10-28-14-17/h4-7,10,14-15,19H,8-9,11-13H2,1-3H3,(H,23,27)
InChIKeyJRJBGNCERRQNAN-UHFFFAOYSA-N
XLogP2.11
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]-N-propan-2-ylacetamide (CID 56887957) is 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]-N-propan-2-ylacetamide is Cc1cccnc1CN(C(=O)CC1C(=O)NCCN1Cc1ccoc1)C(C)C.
What is the InChIKey of 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]-N-propan-2-ylacetamide?
The InChIKey is JRJBGNCERRQNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-15(2)25(13-18-16(3)5-4-7-22-18)20(26)11-19-21(27)23-8-9-24(19)12-17-6-10-28-14-17/h4-7,10,14-15,19H,8-9,11-13H2,1-3H3,(H,23,27).
What are the key properties of 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]-N-propan-2-ylacetamide?
2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]-N-propan-2-ylacetamide has a molecular weight of 384.48 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-[(3-methyl-2-pyridinyl)methyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 56887957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).