N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide

C21H26N4O2 — CID 109044082

IUPACN-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
SMILESCCC(C)NC(=O)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-3-16(2)23-20(26)17-7-9-18(10-8-17)21(27)25-14-12-24(13-15-25)19-6-4-5-11-22-19/h4-11,16H,3,12-15H2,1-2H3,(H,23,26)
InChIKeyAXPVRNXAOCKEHH-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.57
Rot. Bonds5

About N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide

N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide (PubChem CID 109044082) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
PubChem CID109044082
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
SMILESCCC(C)NC(=O)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-3-16(2)23-20(26)17-7-9-18(10-8-17)21(27)25-14-12-24(13-15-25)19-6-4-5-11-22-19/h4-11,16H,3,12-15H2,1-2H3,(H,23,26)
InChIKeyAXPVRNXAOCKEHH-UHFFFAOYSA-N
XLogP2.57
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109079999
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109080186
N-[(2S,3S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]benzamide
CID 7613198
N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109048339
4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 95100171
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
(4-butylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 17217519
N-[(2S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]benzamide
CID 23851243
N-pentan-3-yl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 47151884
[2-[(2R)-butan-2-yl]oxy-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 97337826
(2-butan-2-yloxy-4-pyridinyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 75472306
N-butan-2-yl-4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]benzamide
CID 109044078

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide?
The IUPAC name of N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide (CID 109044082) is N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide.
What is the SMILES notation for N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide?
The canonical SMILES for N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide is CCC(C)NC(=O)c1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide?
The InChIKey is AXPVRNXAOCKEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-3-16(2)23-20(26)17-7-9-18(10-8-17)21(27)25-14-12-24(13-15-25)19-6-4-5-11-22-19/h4-11,16H,3,12-15H2,1-2H3,(H,23,26).
What are the key properties of N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide?
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide has a molecular weight of 366.47 g/mol, XLogP of 2.57, 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-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide is sourced from PubChem (CID 109044082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).