[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;dihydrochloride

C15H26Cl2N4O — CID 119873977

IUPAC[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
SMILESCl.Cl.Cn1nccc1C1CCN(C(=O)C2CCCCN2)CC1
InChIInChI=1S/C15H24N4O.2ClH/c1-18-14(5-9-17-18)12-6-10-19(11-7-12)15(20)13-4-2-3-8-16-13;;/h5,9,12-13,16H,2-4,6-8,10-11H2,1H3;2*1H
InChIKeyCPEJAFHTJZSIET-UHFFFAOYSA-N
MW349.31 g/mol
LogP2.11
Rot. Bonds2

About [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;dihydrochloride

[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;dihydrochloride (PubChem CID 119873977) has the molecular formula C15H26Cl2N4O and a molecular weight of 349.31 g/mol. Its IUPAC name is [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
PubChem CID119873977
Molecular FormulaC15H26Cl2N4O
Molecular Weight349.31 g/mol
Exact Mass348.15
IUPAC Name[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;dihydrochloride
SMILESCl.Cl.Cn1nccc1C1CCN(C(=O)C2CCCCN2)CC1
InChIInChI=1S/C15H24N4O.2ClH/c1-18-14(5-9-17-18)12-6-10-19(11-7-12)15(20)13-4-2-3-8-16-13;;/h5,9,12-13,16H,2-4,6-8,10-11H2,1H3;2*1H
InChIKeyCPEJAFHTJZSIET-UHFFFAOYSA-N
XLogP2.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 124696076
(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 2794697
(2-methylpyrazol-3-yl)-piperidin-2-ylmethanone
CID 116547731
(2S)-N-(2-methylpyrazol-3-yl)piperidine-2-carboxamide
CID 94001045
(3-methylpiperidin-3-yl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 128544432
4-(2-methylpyrazol-3-yl)piperidine-2-carboxamide
CID 106779071
3-amino-2-methyl-1-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120503635
(4-aminopiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 154266528
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
[4-(dimethylamino)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;dihydrochloride
CID 119958508
(2-aminophenyl)-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 119946982

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;dihydrochloride?
The IUPAC name of [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;dihydrochloride (CID 119873977) is [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;dihydrochloride.
What is the SMILES notation for [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;dihydrochloride?
The canonical SMILES for [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;dihydrochloride is Cl.Cl.Cn1nccc1C1CCN(C(=O)C2CCCCN2)CC1.
What is the InChIKey of [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;dihydrochloride?
The InChIKey is CPEJAFHTJZSIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O.2ClH/c1-18-14(5-9-17-18)12-6-10-19(11-7-12)15(20)13-4-2-3-8-16-13;;/h5,9,12-13,16H,2-4,6-8,10-11H2,1H3;2*1H.
What are the key properties of [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;dihydrochloride?
[4-(2-methylpyrazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;dihydrochloride has a molecular weight of 349.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpyrazol-3-yl)piperidin-1-yl]-piperidin-2-ylmethanone;dihydrochloride is sourced from PubChem (CID 119873977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).