1-[(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]piperazin-2-one

C15H25N5O — CID 164638326

IUPAC1-[(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]piperazin-2-one
SMILESCc1cn(C)nc1CN1CCC[C@H](N2CCNCC2=O)C1
InChIInChI=1S/C15H25N5O/c1-12-9-18(2)17-14(12)11-19-6-3-4-13(10-19)20-7-5-16-8-15(20)21/h9,13,16H,3-8,10-11H2,1-2H3/t13-/m0/s1
InChIKeyZXIPTKQSGUDIGV-ZDUSSCGKSA-N
MW291.40 g/mol
LogP0.12
Rot. Bonds3

About 1-[(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]piperazin-2-one

1-[(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]piperazin-2-one (PubChem CID 164638326) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-[(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]piperazin-2-one.

Molecular Properties

Compound Name1-[(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]piperazin-2-one
PubChem CID164638326
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name1-[(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]piperazin-2-one
SMILESCc1cn(C)nc1CN1CCC[C@H](N2CCNCC2=O)C1
InChIInChI=1S/C15H25N5O/c1-12-9-18(2)17-14(12)11-19-6-3-4-13(10-19)20-7-5-16-8-15(20)21/h9,13,16H,3-8,10-11H2,1-2H3/t13-/m0/s1
InChIKeyZXIPTKQSGUDIGV-ZDUSSCGKSA-N
XLogP0.12
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]piperazin-2-one?
The IUPAC name of 1-[(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]piperazin-2-one (CID 164638326) is 1-[(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]piperazin-2-one.
What is the SMILES notation for 1-[(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]piperazin-2-one?
The canonical SMILES for 1-[(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]piperazin-2-one is Cc1cn(C)nc1CN1CCC[C@H](N2CCNCC2=O)C1.
What is the InChIKey of 1-[(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]piperazin-2-one?
The InChIKey is ZXIPTKQSGUDIGV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H25N5O/c1-12-9-18(2)17-14(12)11-19-6-3-4-13(10-19)20-7-5-16-8-15(20)21/h9,13,16H,3-8,10-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]piperazin-2-one?
1-[(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]piperazin-2-one has a molecular weight of 291.40 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]piperidin-3-yl]piperazin-2-one is sourced from PubChem (CID 164638326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).