2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile

C22H26N4O — CID 55793953

IUPAC2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESCC(C)c1ccc(CCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1
InChIInChI=1S/C22H26N4O/c1-17(2)20-6-3-18(4-7-20)5-8-22(27)26-13-11-25(12-14-26)21-15-19(16-23)9-10-24-21/h3-4,6-7,9-10,15,17H,5,8,11-14H2,1-2H3
InChIKeyAMLYBKGGGVNYOS-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.36
Rot. Bonds5

About 2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile

2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile (PubChem CID 55793953) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile
PubChem CID55793953
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile
SMILESCC(C)c1ccc(CCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1
InChIInChI=1S/C22H26N4O/c1-17(2)20-6-3-18(4-7-20)5-8-22(27)26-13-11-25(12-14-26)21-15-19(16-23)9-10-24-21/h3-4,6-7,9-10,15,17H,5,8,11-14H2,1-2H3
InChIKeyAMLYBKGGGVNYOS-UHFFFAOYSA-N
XLogP3.36
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylpiperazin-1-yl)pyridine-4-carbonitrile
CID 24710920
2-[4-[2-(2-methylphenyl)sulfanylacetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 38261707
N-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide
CID 55568938
4-(4-cyano-2-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide
CID 55589982
2-[4-[4-(ethylsulfanylmethyl)benzoyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 55890411
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]pyridine-4-carbonitrile
CID 36631485
2-[4-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 38263518
1-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one
CID 55774407
2-[4-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperazin-1-yl]pyridine-4-carbonitrile
CID 55540126
N-[2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 55550122
2-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]acetic acid
CID 43521668
2-chloro-N-[3-[4-(4-cyano-2-pyridinyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 55539180

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile?
The IUPAC name of 2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile (CID 55793953) is 2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile is CC(C)c1ccc(CCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1.
What is the InChIKey of 2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile?
The InChIKey is AMLYBKGGGVNYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-17(2)20-6-3-18(4-7-20)5-8-22(27)26-13-11-25(12-14-26)21-15-19(16-23)9-10-24-21/h3-4,6-7,9-10,15,17H,5,8,11-14H2,1-2H3.
What are the key properties of 2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile?
2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile has a molecular weight of 362.48 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-propan-2-ylphenyl)propanoyl]piperazin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 55793953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).