N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide

C19H25ClN4O3 — CID 146131833

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
SMILESCOc1cc(NC(=O)CN2CCC(c3ccnn3C)CC2)c(OC)cc1Cl
InChIInChI=1S/C19H25ClN4O3/c1-23-16(4-7-21-23)13-5-8-24(9-6-13)12-19(25)22-15-11-17(26-2)14(20)10-18(15)27-3/h4,7,10-11,13H,5-6,8-9,12H2,1-3H3,(H,22,25)
InChIKeyGKRPFEXJRPBVME-UHFFFAOYSA-N
MW392.89 g/mol
LogP2.91
Rot. Bonds6

About N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide

N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide (PubChem CID 146131833) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
PubChem CID146131833
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
SMILESCOc1cc(NC(=O)CN2CCC(c3ccnn3C)CC2)c(OC)cc1Cl
InChIInChI=1S/C19H25ClN4O3/c1-23-16(4-7-21-23)13-5-8-24(9-6-13)12-19(25)22-15-11-17(26-2)14(20)10-18(15)27-3/h4,7,10-11,13H,5-6,8-9,12H2,1-3H3,(H,22,25)
InChIKeyGKRPFEXJRPBVME-UHFFFAOYSA-N
XLogP2.91
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 6469154
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]acetamide
CID 6469434
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 17378547
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 34424370
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195930
N-[(3-methoxyphenyl)methyl]-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
CID 51104314
1-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55816590
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 22195344
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 24566664
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]acetamide
CID 24617573
2-(3-aminopyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 62102210
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(5R)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
CID 95788051

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide (CID 146131833) is N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide is COc1cc(NC(=O)CN2CCC(c3ccnn3C)CC2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide?
The InChIKey is GKRPFEXJRPBVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O3/c1-23-16(4-7-21-23)13-5-8-24(9-6-13)12-19(25)22-15-11-17(26-2)14(20)10-18(15)27-3/h4,7,10-11,13H,5-6,8-9,12H2,1-3H3,(H,22,25).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide?
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide has a molecular weight of 392.89 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 146131833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).