[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone

C18H30N4O2 — CID 70740164

IUPAC[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1nn(CCO)cc1CN1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H30N4O2/c1-15-17(14-22(19-15)11-12-23)13-20-9-5-16(6-10-20)18(24)21-7-3-2-4-8-21/h14,16,23H,2-13H2,1H3
InChIKeyUILNOQYXJNPBAV-UHFFFAOYSA-N
MW334.46 g/mol
LogP1.41
Rot. Bonds5

About [1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone

[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 70740164) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is [1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID70740164
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC Name[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1nn(CCO)cc1CN1CCC(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H30N4O2/c1-15-17(14-22(19-15)11-12-23)13-20-9-5-16(6-10-20)18(24)21-7-3-2-4-8-21/h14,16,23H,2-13H2,1H3
InChIKeyUILNOQYXJNPBAV-UHFFFAOYSA-N
XLogP1.41
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

2-[3-methyl-4-[[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 95388512
[1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883903
[4-[(1,3-dimethylpyrazol-4-yl)methyl]piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 19584044
[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51594824
1,5-dimethyl-4-[[4-(piperidine-1-carbonyl)piperidin-1-yl]methyl]pyrrole-2-carbonitrile
CID 70754867
8-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72916407
4-ethyl-3-[[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]methyl]-1H-1,2,4-triazol-5-one
CID 56862353
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006
[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone;oxalic acid
CID 44828315
2-[3-methyl-4-[[3-(3-methylphenyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 77089209
ethane;2-(4-ethyl-3-methylpyrazol-1-yl)ethanol
CID 169138415
2-[4-[[(3R)-3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-3-methylpyrazol-1-yl]ethanol
CID 95861712

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone (CID 70740164) is [1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone is Cc1nn(CCO)cc1CN1CCC(C(=O)N2CCCCC2)CC1.
What is the InChIKey of [1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is UILNOQYXJNPBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2/c1-15-17(14-22(19-15)11-12-23)13-20-9-5-16(6-10-20)18(24)21-7-3-2-4-8-21/h14,16,23H,2-13H2,1H3.
What are the key properties of [1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone?
[1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 334.46 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 70740164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).