6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide

C20H24N4O2 — CID 71094905

IUPAC6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCC(C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)c1ccccc1
InChIInChI=1S/C20H24N4O2/c1-2-17(15-6-4-3-5-7-15)20(26)24-12-10-23(11-13-24)18-9-8-16(14-22-18)19(21)25/h3-9,14,17H,2,10-13H2,1H3,(H2,21,25)
InChIKeyBSDNGHCRVHOESR-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.02
Rot. Bonds5

About 6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide

6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 71094905) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID71094905
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCC(C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)c1ccccc1
InChIInChI=1S/C20H24N4O2/c1-2-17(15-6-4-3-5-7-15)20(26)24-12-10-23(11-13-24)18-9-8-16(14-22-18)19(21)25/h3-9,14,17H,2,10-13H2,1H3,(H2,21,25)
InChIKeyBSDNGHCRVHOESR-UHFFFAOYSA-N
XLogP2.02
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68738911
2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 56537149
2-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 2970650
1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 122343368
2-phenyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one
CID 121145863
1-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 46454398
ethyl 6-[4-(2-phenoxy-2-phenylacetyl)piperazin-1-yl]pyridine-3-carboxylate
CID 55911339
N-[6-[4-(4-chlorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2-phenylbutanamide
CID 42849885
(2S)-2-phenyl-1-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]butan-1-one
CID 99754097
1-[4-(2-methylphenyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 42695575
6-[4-[4-[ethyl(phenyl)sulfamoyl]benzoyl]piperazin-1-yl]pyridine-3-carboxamide
CID 167784135
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylbutan-1-one
CID 55545946

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide (CID 71094905) is 6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide is CCC(C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1)c1ccccc1.
What is the InChIKey of 6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is BSDNGHCRVHOESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-2-17(15-6-4-3-5-7-15)20(26)24-12-10-23(11-13-24)18-9-8-16(14-22-18)19(21)25/h3-9,14,17H,2,10-13H2,1H3,(H2,21,25).
What are the key properties of 6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide?
6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 71094905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).