N-[2-[(2R)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide

C21H30N4O3 — CID 42098553

IUPACN-[2-[(2R)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide
SMILESCOc1ccc(-c2[nH]ncc2CN2CCCC[C@@H]2CCNC(C)=O)c(OC)c1
InChIInChI=1S/C21H30N4O3/c1-15(26)22-10-9-17-6-4-5-11-25(17)14-16-13-23-24-21(16)19-8-7-18(27-2)12-20(19)28-3/h7-8,12-13,17H,4-6,9-11,14H2,1-3H3,(H,22,26)(H,23,24)/t17-/m1/s1
InChIKeyWUAYRCCYALLVTC-QGZVFWFLSA-N
MW386.50 g/mol
LogP2.97
Rot. Bonds8

About N-[2-[(2R)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide

N-[2-[(2R)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide (PubChem CID 42098553) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[2-[(2R)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2R)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide
PubChem CID42098553
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-[2-[(2R)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide
SMILESCOc1ccc(-c2[nH]ncc2CN2CCCC[C@@H]2CCNC(C)=O)c(OC)c1
InChIInChI=1S/C21H30N4O3/c1-15(26)22-10-9-17-6-4-5-11-25(17)14-16-13-23-24-21(16)19-8-7-18(27-2)12-20(19)28-3/h7-8,12-13,17H,4-6,9-11,14H2,1-3H3,(H,22,26)(H,23,24)/t17-/m1/s1
InChIKeyWUAYRCCYALLVTC-QGZVFWFLSA-N
XLogP2.97
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[(2R)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide with MolForge

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Related Compounds

[(2R)-1-[[5-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]methanol
CID 42528358
N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79485412
N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 79485640
3-amino-N-[[1-[(2,4-dimethoxyphenyl)methyl]piperidin-2-yl]methyl]propanamide;hydrochloride
CID 120911553
N-[2-[(2S)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethyl]acetamide
CID 95718043
5-[(2R)-1-[[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 93070247
2-[1-[[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethanol
CID 45192392
2-[5-(2,5-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82302593
methyl 2-[1-[(2-bromo-5-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 65327147
2-[1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1,3-benzoxazole
CID 45225018
N-[2-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-2-yl]ethyl]acetamide
CID 70775004
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 124861701

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[(2R)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide (CID 42098553) is N-[2-[(2R)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2R)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[(2R)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide is COc1ccc(-c2[nH]ncc2CN2CCCC[C@@H]2CCNC(C)=O)c(OC)c1.
What is the InChIKey of N-[2-[(2R)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide?
The InChIKey is WUAYRCCYALLVTC-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-15(26)22-10-9-17-6-4-5-11-25(17)14-16-13-23-24-21(16)19-8-7-18(27-2)12-20(19)28-3/h7-8,12-13,17H,4-6,9-11,14H2,1-3H3,(H,22,26)(H,23,24)/t17-/m1/s1.
What are the key properties of N-[2-[(2R)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide?
N-[2-[(2R)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide has a molecular weight of 386.50 g/mol, XLogP of 2.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-1-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 42098553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).