N-(2-cyanoethyl)-N-methyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide

C14H21N5O — CID 51104425

IUPACN-(2-cyanoethyl)-N-methyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
SMILESCN(CCC#N)C(=O)CN1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C14H21N5O/c1-18(8-2-6-15)14(20)11-19-9-4-12(5-10-19)13-3-7-16-17-13/h3,7,12H,2,4-5,8-11H2,1H3,(H,16,17)
InChIKeyARMSCSGOAFWHBH-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.96
Rot. Bonds5

About N-(2-cyanoethyl)-N-methyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide

N-(2-cyanoethyl)-N-methyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide (PubChem CID 51104425) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-methyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-methyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
PubChem CID51104425
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC NameN-(2-cyanoethyl)-N-methyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide
SMILESCN(CCC#N)C(=O)CN1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C14H21N5O/c1-18(8-2-6-15)14(20)11-19-9-4-12(5-10-19)13-3-7-16-17-13/h3,7,12H,2,4-5,8-11H2,1H3,(H,16,17)
InChIKeyARMSCSGOAFWHBH-UHFFFAOYSA-N
XLogP0.96
TPSA76.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-methyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide (CID 51104425) is N-(2-cyanoethyl)-N-methyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-methyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-methyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide is CN(CCC#N)C(=O)CN1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-methyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
The InChIKey is ARMSCSGOAFWHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-18(8-2-6-15)14(20)11-19-9-4-12(5-10-19)13-3-7-16-17-13/h3,7,12H,2,4-5,8-11H2,1H3,(H,16,17).
What are the key properties of N-(2-cyanoethyl)-N-methyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide?
N-(2-cyanoethyl)-N-methyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide has a molecular weight of 275.36 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-methyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 51104425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).