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

C14H25Cl2N5O — CID 119887289

IUPAC[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
SMILESCl.Cl.Cn1cc(N2CCN(C(=O)C3CCCNC3)CC2)cn1
InChIInChI=1S/C14H23N5O.2ClH/c1-17-11-13(10-16-17)18-5-7-19(8-6-18)14(20)12-3-2-4-15-9-12;;/h10-12,15H,2-9H2,1H3;2*1H
InChIKeyVYDIZUVBRYJCSE-UHFFFAOYSA-N
MW350.29 g/mol
LogP0.91
Rot. Bonds2

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

[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride (PubChem CID 119887289) has the molecular formula C14H25Cl2N5O and a molecular weight of 350.29 g/mol. Its IUPAC name is [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
PubChem CID119887289
Molecular FormulaC14H25Cl2N5O
Molecular Weight350.29 g/mol
Exact Mass349.14
IUPAC Name[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
SMILESCl.Cl.Cn1cc(N2CCN(C(=O)C3CCCNC3)CC2)cn1
InChIInChI=1S/C14H23N5O.2ClH/c1-17-11-13(10-16-17)18-5-7-19(8-6-18)14(20)12-3-2-4-15-9-12;;/h10-12,15H,2-9H2,1H3;2*1H
InChIKeyVYDIZUVBRYJCSE-UHFFFAOYSA-N
XLogP0.91
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-phenyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride
CID 119860749
[4-(4-chlorophenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 81118918
[(1S,3S)-3-aminocyclohexyl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
CID 124696422
[4-(2-chlorophenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119827676
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 60948000
[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-piperidin-3-ylmethanone
CID 119894196
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
2,2-dimethyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 119281331
[4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 81126192
[4-(2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119826511
[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119872438

Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride?
The IUPAC name of [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride (CID 119887289) is [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride.
What is the SMILES notation for [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride?
The canonical SMILES for [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride is Cl.Cl.Cn1cc(N2CCN(C(=O)C3CCCNC3)CC2)cn1.
What is the InChIKey of [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride?
The InChIKey is VYDIZUVBRYJCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O.2ClH/c1-17-11-13(10-16-17)18-5-7-19(8-6-18)14(20)12-3-2-4-15-9-12;;/h10-12,15H,2-9H2,1H3;2*1H.
What are the key properties of [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride?
[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride has a molecular weight of 350.29 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpyrazol-4-yl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride is sourced from PubChem (CID 119887289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).