N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide

C18H24N4O2 — CID 134043760

IUPACN-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)c2cccc(C#N)c2)CC1
InChIInChI=1S/C18H24N4O2/c1-3-14(2)20-17(23)13-21-7-9-22(10-8-21)18(24)16-6-4-5-15(11-16)12-19/h4-6,11,14H,3,7-10,13H2,1-2H3,(H,20,23)
InChIKeyOMGLZBYBKIDKSO-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.23
Rot. Bonds5

About N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide

N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide (PubChem CID 134043760) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide
PubChem CID134043760
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(=O)c2cccc(C#N)c2)CC1
InChIInChI=1S/C18H24N4O2/c1-3-14(2)20-17(23)13-21-7-9-22(10-8-21)18(24)16-6-4-5-15(11-16)12-19/h4-6,11,14H,3,7-10,13H2,1-2H3,(H,20,23)
InChIKeyOMGLZBYBKIDKSO-UHFFFAOYSA-N
XLogP1.23
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-butan-2-yl]-2-[4-(3-chlorobenzoyl)piperazin-1-yl]acetamide
CID 32665716
3-(4-ethylpiperazine-1-carbonyl)benzonitrile
CID 24705245
3-(4-propanoylpiperazine-1-carbonyl)benzonitrile
CID 110817109
3-[4-(3-methylbutanoyl)piperazine-1-carbonyl]benzonitrile
CID 110817697
3-[4-(2-hydroxy-2-methylpropyl)piperazine-1-carbonyl]benzonitrile
CID 63656587
2-(4-benzoylpiperazin-1-yl)-N-pentan-3-ylacetamide
CID 18082973
2-[4-(3-cyanobenzoyl)piperazin-1-yl]propanamide
CID 110750457
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-butan-2-ylacetamide
CID 134043822
N-butan-2-yl-2-[4-[4-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide
CID 55564403
3-[4-(2-chloroethyl)-1,4-diazepane-1-carbonyl]benzonitrile
CID 63394832
3-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]benzonitrile
CID 63308703
3-[4-[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]ethyl]piperazine-1-carbonyl]benzonitrile
CID 95289850

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide (CID 134043760) is N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(C(=O)c2cccc(C#N)c2)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide?
The InChIKey is OMGLZBYBKIDKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-3-14(2)20-17(23)13-21-7-9-22(10-8-21)18(24)16-6-4-5-15(11-16)12-19/h4-6,11,14H,3,7-10,13H2,1-2H3,(H,20,23).
What are the key properties of N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide has a molecular weight of 328.42 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(3-cyanobenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 134043760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).