2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide

C17H26N4O2 — CID 51100747

IUPAC2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide
SMILESCCC(C)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H26N4O2/c1-3-14(2)17(23)19-9-7-16(22)21-12-10-20(11-13-21)15-6-4-5-8-18-15/h4-6,8,14H,3,7,9-13H2,1-2H3,(H,19,23)
InChIKeyYQVNOWNKNQFMPJ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.28
Rot. Bonds6

About 2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide

2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide (PubChem CID 51100747) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide
PubChem CID51100747
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide
SMILESCCC(C)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H26N4O2/c1-3-14(2)17(23)19-9-7-16(22)21-12-10-20(11-13-21)15-6-4-5-8-18-15/h4-6,8,14H,3,7,9-13H2,1-2H3,(H,19,23)
InChIKeyYQVNOWNKNQFMPJ-UHFFFAOYSA-N
XLogP1.28
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
3-(pentylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030233
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
2-(3-methylbutyl)-1-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111092171
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide
CID 51100868
3-[1-(2-chlorophenyl)ethylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 55572653
ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate
CID 112994654
2-benzyl-1-ethyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine
CID 110953404
2-methyl-1-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3-(4-phenylbutan-2-yl)guanidine;hydroiodide
CID 111172236
1-ethyl-3-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2-(2-thiophen-3-ylpropyl)guanidine
CID 111702921
3-(4-ethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030253

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide?
The IUPAC name of 2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide (CID 51100747) is 2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide.
What is the SMILES notation for 2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide?
The canonical SMILES for 2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide is CCC(C)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide?
The InChIKey is YQVNOWNKNQFMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-14(2)17(23)19-9-7-16(22)21-12-10-20(11-13-21)15-6-4-5-8-18-15/h4-6,8,14H,3,7,9-13H2,1-2H3,(H,19,23).
What are the key properties of 2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide?
2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide has a molecular weight of 318.42 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide is sourced from PubChem (CID 51100747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).