N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide

C16H24N4O2 — CID 53161580

IUPACN-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide
SMILESCCCC(=O)NC(C)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H24N4O2/c1-3-6-15(21)18-13(2)16(22)20-11-9-19(10-12-20)14-7-4-5-8-17-14/h4-5,7-8,13H,3,6,9-12H2,1-2H3,(H,18,21)
InChIKeyYCKGQBIQJNAGNW-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.03
Rot. Bonds5

About N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide

N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide (PubChem CID 53161580) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide.

Molecular Properties

Compound NameN-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide
PubChem CID53161580
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide
SMILESCCCC(=O)NC(C)C(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H24N4O2/c1-3-6-15(21)18-13(2)16(22)20-11-9-19(10-12-20)14-7-4-5-8-17-14/h4-5,7-8,13H,3,6,9-12H2,1-2H3,(H,18,21)
InChIKeyYCKGQBIQJNAGNW-UHFFFAOYSA-N
XLogP1.03
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 95100131
3-(3-methoxyphenyl)-N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]propanamide
CID 53161575
4-ethoxy-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 95100171
2-fluoro-N-[(2S)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]benzamide
CID 95100164
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
N-pentan-3-yl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 47151884
N-[(2S,3S)-3-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]benzamide
CID 7613198
2-butyl-1-(4-pyridin-2-ylpiperazin-1-yl)butane-1,3-dione
CID 10266982
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109044082
N-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]cyclopropanecarboxamide
CID 53161589
(2S)-2-amino-4-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-1-one
CID 22691110
N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108941420

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide?
The IUPAC name of N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide (CID 53161580) is N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide.
What is the SMILES notation for N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide?
The canonical SMILES for N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide is CCCC(=O)NC(C)C(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide?
The InChIKey is YCKGQBIQJNAGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-3-6-15(21)18-13(2)16(22)20-11-9-19(10-12-20)14-7-4-5-8-17-14/h4-5,7-8,13H,3,6,9-12H2,1-2H3,(H,18,21).
What are the key properties of N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide?
N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide has a molecular weight of 304.39 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide is sourced from PubChem (CID 53161580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).