1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C17H27N5O — CID 119651248

IUPAC1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCNCC1CCCN1C(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H27N5O/c1-18-13-15-5-4-8-22(15)17(23)14-20-9-11-21(12-10-20)16-6-2-3-7-19-16/h2-3,6-7,15,18H,4-5,8-14H2,1H3
InChIKeyZDEIPYCWNRHUOK-UHFFFAOYSA-N
MW317.44 g/mol
LogP0.41
Rot. Bonds5

About 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone

1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 119651248) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID119651248
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCNCC1CCCN1C(=O)CN1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H27N5O/c1-18-13-15-5-4-8-22(15)17(23)14-20-9-11-21(12-10-20)16-6-2-3-7-19-16/h2-3,6-7,15,18H,4-5,8-14H2,1H3
InChIKeyZDEIPYCWNRHUOK-UHFFFAOYSA-N
XLogP0.41
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-pyridin-2-ylpiperazin-1-yl)-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone
CID 51199552
[2-(methylaminomethyl)pyrrolidin-1-yl]-pyridin-2-ylmethanone;dihydrochloride
CID 119651815
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride
CID 119648660
1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 111446252
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
N-cycloheptyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4884816
1-[(2S,4S)-4-fluoro-2-(hydroxymethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 128988151
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 119649791
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 81483948
1-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 124569777

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 119651248) is 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is CNCC1CCCN1C(=O)CN1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is ZDEIPYCWNRHUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c1-18-13-15-5-4-8-22(15)17(23)14-20-9-11-21(12-10-20)16-6-2-3-7-19-16/h2-3,6-7,15,18H,4-5,8-14H2,1H3.
What are the key properties of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 317.44 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 119651248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).