2-(4-methylpiperidin-1-yl)-1-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone

C15H25N5O — CID 120949685

IUPAC2-(4-methylpiperidin-1-yl)-1-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESCC1CCN(CC(=O)N2CCC[C@H]2Cn2ccnn2)CC1
InChIInChI=1S/C15H25N5O/c1-13-4-8-18(9-5-13)12-15(21)20-7-2-3-14(20)11-19-10-6-16-17-19/h6,10,13-14H,2-5,7-9,11-12H2,1H3/t14-/m0/s1
InChIKeyHJUFLWQYDLKCIA-AWEZNQCLSA-N
MW291.40 g/mol
LogP1.00
Rot. Bonds4

About 2-(4-methylpiperidin-1-yl)-1-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone

2-(4-methylpiperidin-1-yl)-1-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone (PubChem CID 120949685) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-1-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-1-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
PubChem CID120949685
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name2-(4-methylpiperidin-1-yl)-1-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESCC1CCN(CC(=O)N2CCC[C@H]2Cn2ccnn2)CC1
InChIInChI=1S/C15H25N5O/c1-13-4-8-18(9-5-13)12-15(21)20-7-2-3-14(20)11-19-10-6-16-17-19/h6,10,13-14H,2-5,7-9,11-12H2,1H3/t14-/m0/s1
InChIKeyHJUFLWQYDLKCIA-AWEZNQCLSA-N
XLogP1.00
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-1-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-1-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone (CID 120949685) is 2-(4-methylpiperidin-1-yl)-1-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-1-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-1-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone is CC1CCN(CC(=O)N2CCC[C@H]2Cn2ccnn2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-1-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is HJUFLWQYDLKCIA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H25N5O/c1-13-4-8-18(9-5-13)12-15(21)20-7-2-3-14(20)11-19-10-6-16-17-19/h6,10,13-14H,2-5,7-9,11-12H2,1H3/t14-/m0/s1.
What are the key properties of 2-(4-methylpiperidin-1-yl)-1-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
2-(4-methylpiperidin-1-yl)-1-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 291.40 g/mol, XLogP of 1.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-1-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 120949685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).