(1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone

C16H26N4O — CID 71926857

IUPAC(1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)C3CCCCN3C)C2)n[nH]1
InChIInChI=1S/C16H26N4O/c1-12-10-14(18-17-12)13-6-5-9-20(11-13)16(21)15-7-3-4-8-19(15)2/h10,13,15H,3-9,11H2,1-2H3,(H,17,18)
InChIKeyGWOYZULSCDQUQW-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.91
Rot. Bonds2

About (1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone

(1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone (PubChem CID 71926857) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
PubChem CID71926857
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
SMILESCc1cc(C2CCCN(C(=O)C3CCCCN3C)C2)n[nH]1
InChIInChI=1S/C16H26N4O/c1-12-10-14(18-17-12)13-6-5-9-20(11-13)16(21)15-7-3-4-8-19(15)2/h10,13,15H,3-9,11H2,1-2H3,(H,17,18)
InChIKeyGWOYZULSCDQUQW-UHFFFAOYSA-N
XLogP1.91
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-4-[3-(5-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 71926859
[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 95781157
[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]methanone
CID 97004266
[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[(2R)-1-methylpiperidin-2-yl]methanone
CID 95765308
[(3R)-3,4-dihydro-2H-chromen-3-yl]-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514506
[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(6-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 71926727
(2,5-dimethylfuran-3-yl)-[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 97004395
(2,5-dimethylfuran-3-yl)-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 97004396
(3,5-dimethoxy-4-methylphenyl)-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 96514461
[(3R)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 97069118
1-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 97069115
1-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-2-propan-2-ylsulfonylethanone
CID 71871656

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone (CID 71926857) is (1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone is Cc1cc(C2CCCN(C(=O)C3CCCCN3C)C2)n[nH]1.
What is the InChIKey of (1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is GWOYZULSCDQUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12-10-14(18-17-12)13-6-5-9-20(11-13)16(21)15-7-3-4-8-19(15)2/h10,13,15H,3-9,11H2,1-2H3,(H,17,18).
What are the key properties of (1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone?
(1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 290.41 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-2-yl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 71926857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).