(4-chloro-1-methylpyrazol-3-yl)-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone

C15H23ClN4O2 — CID 56900876

IUPAC(4-chloro-1-methylpyrazol-3-yl)-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCn1cc(Cl)c(C(=O)N2CCC(N3CCC(O)CC3)CC2)n1
InChIInChI=1S/C15H23ClN4O2/c1-18-10-13(16)14(17-18)15(22)20-6-2-11(3-7-20)19-8-4-12(21)5-9-19/h10-12,21H,2-9H2,1H3
InChIKeyXEXACHXYFXGMAY-UHFFFAOYSA-N
MW326.83 g/mol
LogP1.13
Rot. Bonds2

About (4-chloro-1-methylpyrazol-3-yl)-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone

(4-chloro-1-methylpyrazol-3-yl)-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone (PubChem CID 56900876) has the molecular formula C15H23ClN4O2 and a molecular weight of 326.83 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-3-yl)-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-3-yl)-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
PubChem CID56900876
Molecular FormulaC15H23ClN4O2
Molecular Weight326.83 g/mol
Exact Mass326.15
IUPAC Name(4-chloro-1-methylpyrazol-3-yl)-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone
SMILESCn1cc(Cl)c(C(=O)N2CCC(N3CCC(O)CC3)CC2)n1
InChIInChI=1S/C15H23ClN4O2/c1-18-10-13(16)14(17-18)15(22)20-6-2-11(3-7-20)19-8-4-12(21)5-9-19/h10-12,21H,2-9H2,1H3
InChIKeyXEXACHXYFXGMAY-UHFFFAOYSA-N
XLogP1.13
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-1-methyl-1H-pyrazole-5-carbonyl)piperidine
CID 831977
ethyl 4-[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]-1-piperazinecarboxylate
CID 842664
4-Chloro-1-methylpyrazol-5-yl 2-methylpiperidyl ketone
CID 3569167
(4-Chloro-2-methylpyrazol-3-yl)-(4-propylpiperazin-1-yl)methanone
CID 6466398
4-chloro-1-ethyl-N-(3-hydroxypropyl)pyrazole-3-carboxamide
CID 35522414
3-[(3R*,4S*)-1-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propan-1-ol
CID 72844648
N-[(3R,4R)-1-(4-chloro-1-propylpyrazole-3-carbonyl)-4-hydroxypyrrolidin-3-yl]acetamide
CID 110132973
(4-chloro-1-ethyl-1H-pyrazol-3-yl){2-[2-(1-pyrrolidinyl)ethyl]piperidino}methanone
CID 53193392
4-chloro-1-methyl-N-[2-(piperidin-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 6469224
4-chloro-N,N-dicyclohexyl-1-ethyl-1H-pyrazole-3-carboxamide
CID 17020850
[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 51389669
(3R*,4S*)-1-[(4-chloro-1-methyl-1H-pyrazol-3-yl)carbonyl]-3,4-dimethylpiperidin-4-ol
CID 70723069

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-3-yl)-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone (CID 56900876) is (4-chloro-1-methylpyrazol-3-yl)-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-3-yl)-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-3-yl)-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone is Cn1cc(Cl)c(C(=O)N2CCC(N3CCC(O)CC3)CC2)n1.
What is the InChIKey of (4-chloro-1-methylpyrazol-3-yl)-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
The InChIKey is XEXACHXYFXGMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN4O2/c1-18-10-13(16)14(17-18)15(22)20-6-2-11(3-7-20)19-8-4-12(21)5-9-19/h10-12,21H,2-9H2,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-3-yl)-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone?
(4-chloro-1-methylpyrazol-3-yl)-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone has a molecular weight of 326.83 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-3-yl)-[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 56900876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).