[1-[3,6-bis(diethylamino)-2-pyridinyl]piperazin-2-yl]-pyrrolidin-2-ylmethanone

C22H38N6O — CID 67833558

IUPAC[1-[3,6-bis(diethylamino)-2-pyridinyl]piperazin-2-yl]-pyrrolidin-2-ylmethanone
SMILESCCN(CC)c1ccc(N(CC)CC)c(N2CCNCC2C(=O)C2CCCN2)n1
InChIInChI=1S/C22H38N6O/c1-5-26(6-2)18-11-12-20(27(7-3)8-4)25-22(18)28-15-14-23-16-19(28)21(29)17-10-9-13-24-17/h11-12,17,19,23-24H,5-10,13-16H2,1-4H3
InChIKeyGLVKDSQCCNILCR-UHFFFAOYSA-N
MW402.59 g/mol
LogP1.87
Rot. Bonds9

About [1-[3,6-bis(diethylamino)-2-pyridinyl]piperazin-2-yl]-pyrrolidin-2-ylmethanone

[1-[3,6-bis(diethylamino)-2-pyridinyl]piperazin-2-yl]-pyrrolidin-2-ylmethanone (PubChem CID 67833558) has the molecular formula C22H38N6O and a molecular weight of 402.59 g/mol. Its IUPAC name is [1-[3,6-bis(diethylamino)-2-pyridinyl]piperazin-2-yl]-pyrrolidin-2-ylmethanone.

Molecular Properties

Compound Name[1-[3,6-bis(diethylamino)-2-pyridinyl]piperazin-2-yl]-pyrrolidin-2-ylmethanone
PubChem CID67833558
Molecular FormulaC22H38N6O
Molecular Weight402.59 g/mol
Exact Mass402.31
IUPAC Name[1-[3,6-bis(diethylamino)-2-pyridinyl]piperazin-2-yl]-pyrrolidin-2-ylmethanone
SMILESCCN(CC)c1ccc(N(CC)CC)c(N2CCNCC2C(=O)C2CCCN2)n1
InChIInChI=1S/C22H38N6O/c1-5-26(6-2)18-11-12-20(27(7-3)8-4)25-22(18)28-15-14-23-16-19(28)21(29)17-10-9-13-24-17/h11-12,17,19,23-24H,5-10,13-16H2,1-4H3
InChIKeyGLVKDSQCCNILCR-UHFFFAOYSA-N
XLogP1.87
TPSA63.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.59
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[3,6-bis(diethylamino)-2-pyridinyl]piperazin-2-yl]-pyrrolidin-2-ylmethanone?
The IUPAC name of [1-[3,6-bis(diethylamino)-2-pyridinyl]piperazin-2-yl]-pyrrolidin-2-ylmethanone (CID 67833558) is [1-[3,6-bis(diethylamino)-2-pyridinyl]piperazin-2-yl]-pyrrolidin-2-ylmethanone.
What is the SMILES notation for [1-[3,6-bis(diethylamino)-2-pyridinyl]piperazin-2-yl]-pyrrolidin-2-ylmethanone?
The canonical SMILES for [1-[3,6-bis(diethylamino)-2-pyridinyl]piperazin-2-yl]-pyrrolidin-2-ylmethanone is CCN(CC)c1ccc(N(CC)CC)c(N2CCNCC2C(=O)C2CCCN2)n1.
What is the InChIKey of [1-[3,6-bis(diethylamino)-2-pyridinyl]piperazin-2-yl]-pyrrolidin-2-ylmethanone?
The InChIKey is GLVKDSQCCNILCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N6O/c1-5-26(6-2)18-11-12-20(27(7-3)8-4)25-22(18)28-15-14-23-16-19(28)21(29)17-10-9-13-24-17/h11-12,17,19,23-24H,5-10,13-16H2,1-4H3.
What are the key properties of [1-[3,6-bis(diethylamino)-2-pyridinyl]piperazin-2-yl]-pyrrolidin-2-ylmethanone?
[1-[3,6-bis(diethylamino)-2-pyridinyl]piperazin-2-yl]-pyrrolidin-2-ylmethanone has a molecular weight of 402.59 g/mol, XLogP of 1.87, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3,6-bis(diethylamino)-2-pyridinyl]piperazin-2-yl]-pyrrolidin-2-ylmethanone is sourced from PubChem (CID 67833558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).