[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

C15H22N4O — CID 61177634

IUPAC[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCc1cccc(N2CCCC2C(=O)N2CCNCC2)n1
InChIInChI=1S/C15H22N4O/c1-12-4-2-6-14(17-12)19-9-3-5-13(19)15(20)18-10-7-16-8-11-18/h2,4,6,13,16H,3,5,7-11H2,1H3
InChIKeyWFTPFXAIQOGLFA-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.79
Rot. Bonds2

About [1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone

[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (PubChem CID 61177634) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is [1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
PubChem CID61177634
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
SMILESCc1cccc(N2CCCC2C(=O)N2CCNCC2)n1
InChIInChI=1S/C15H22N4O/c1-12-4-2-6-14(17-12)19-9-3-5-13(19)15(20)18-10-7-16-8-11-18/h2,4,6,13,16H,3,5,7-11H2,1H3
InChIKeyWFTPFXAIQOGLFA-UHFFFAOYSA-N
XLogP0.79
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 86797169
6-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 64588388
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
[1-(4,5-dimethyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 65168510
2-methyl-1-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 61174938
4-[2-(piperazine-1-carbonyl)pyrrolidin-1-yl]pyridine-2-carbonitrile
CID 62926420
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 65276198
piperazin-1-yl-(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methanone
CID 119403348
[1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 62346739
N,N-dimethyl-2-(piperazine-1-carbonyl)pyrrolidine-1-carboxamide
CID 79154087
2-(3-bromo-2-methylpiperidin-1-yl)-6-methylpyridine
CID 130920970
N-(6-methyl-2-pyridinyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61019426

Frequently Asked Questions

What is the IUPAC name of [1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone (CID 61177634) is [1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is Cc1cccc(N2CCCC2C(=O)N2CCNCC2)n1.
What is the InChIKey of [1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
The InChIKey is WFTPFXAIQOGLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-12-4-2-6-14(17-12)19-9-3-5-13(19)15(20)18-10-7-16-8-11-18/h2,4,6,13,16H,3,5,7-11H2,1H3.
What are the key properties of [1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone?
[1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone has a molecular weight of 274.37 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methyl-2-pyridinyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 61177634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).