4-[(2-cyanophenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide

C22H33N5O — CID 123999459

IUPAC4-[(2-cyanophenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCC1(C)CC(NC(=O)N2CCN(Cc3ccccc3C#N)CC2)CC(C)(C)N1
InChIInChI=1S/C22H33N5O/c1-21(2)13-19(14-22(3,4)25-21)24-20(28)27-11-9-26(10-12-27)16-18-8-6-5-7-17(18)15-23/h5-8,19,25H,9-14,16H2,1-4H3,(H,24,28)
InChIKeyJZVHUPVRLVUEGZ-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.69
Rot. Bonds3

About 4-[(2-cyanophenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide

4-[(2-cyanophenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide (PubChem CID 123999459) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is 4-[(2-cyanophenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-cyanophenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide
PubChem CID123999459
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name4-[(2-cyanophenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide
SMILESCC1(C)CC(NC(=O)N2CCN(Cc3ccccc3C#N)CC2)CC(C)(C)N1
InChIInChI=1S/C22H33N5O/c1-21(2)13-19(14-22(3,4)25-21)24-20(28)27-11-9-26(10-12-27)16-18-8-6-5-7-17(18)15-23/h5-8,19,25H,9-14,16H2,1-4H3,(H,24,28)
InChIKeyJZVHUPVRLVUEGZ-UHFFFAOYSA-N
XLogP2.69
TPSA71.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aziridin-1-ylmethyl)benzonitrile
CID 102051024
2-[[4-(oxolane-2-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 51172922
2-[[4-(piperidine-1-carbonyl)piperazin-1-yl]methyl]benzonitrile
CID 31033858
tert-butyl 4-[(2-cyanophenyl)methyl]piperazine-1-carboxylate
CID 135121903
2-[[4-(2-methyl-2-phenylpropanoyl)piperazin-1-yl]methyl]benzonitrile
CID 36922445
4-[4-[(2-cyanophenyl)methyl]piperazin-1-yl]-2,2-dimethyl-4-oxobutanamide
CID 22594039
4-(2-cyanophenyl)-N-cyclopropylpiperazine-1-carboxamide
CID 113080857
1-[(2-cyanophenyl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 63126646
2-[[4-[(2S)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]piperazin-1-yl]methyl]benzonitrile
CID 97207144
2-[[4-(1-phenylcyclopropanecarbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile
CID 137345347
2-[(4-sulfanylpiperazin-1-yl)methyl]benzonitrile
CID 135177597
2-[[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]benzonitrile
CID 95344633

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyanophenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[(2-cyanophenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide (CID 123999459) is 4-[(2-cyanophenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2-cyanophenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(2-cyanophenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide is CC1(C)CC(NC(=O)N2CCN(Cc3ccccc3C#N)CC2)CC(C)(C)N1.
What is the InChIKey of 4-[(2-cyanophenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide?
The InChIKey is JZVHUPVRLVUEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-21(2)13-19(14-22(3,4)25-21)24-20(28)27-11-9-26(10-12-27)16-18-8-6-5-7-17(18)15-23/h5-8,19,25H,9-14,16H2,1-4H3,(H,24,28).
What are the key properties of 4-[(2-cyanophenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide?
4-[(2-cyanophenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyanophenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 123999459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).