N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide

C20H28N4O — CID 92634157

IUPACN-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESCc1nn(C)cc1NC(=O)CC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H28N4O/c1-16-19(15-23(2)22-16)21-20(25)14-18-9-12-24(13-10-18)11-8-17-6-4-3-5-7-17/h3-7,15,18H,8-14H2,1-2H3,(H,21,25)
InChIKeyYYJKJWZCLXDAKJ-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.01
Rot. Bonds6

About N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide

N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide (PubChem CID 92634157) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide
PubChem CID92634157
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESCc1nn(C)cc1NC(=O)CC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H28N4O/c1-16-19(15-23(2)22-16)21-20(25)14-18-9-12-24(13-10-18)11-8-17-6-4-3-5-7-17/h3-7,15,18H,8-14H2,1-2H3,(H,21,25)
InChIKeyYYJKJWZCLXDAKJ-UHFFFAOYSA-N
XLogP3.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide (CID 92634157) is N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide is Cc1nn(C)cc1NC(=O)CC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The InChIKey is YYJKJWZCLXDAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16-19(15-23(2)22-16)21-20(25)14-18-9-12-24(13-10-18)11-8-17-6-4-3-5-7-17/h3-7,15,18H,8-14H2,1-2H3,(H,21,25).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-2-[1-(2-phenylethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 92634157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).