N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

C16H24N4O2 — CID 108941420

IUPACN-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCCCCNC(=O)CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H24N4O2/c1-2-3-7-18-15(21)13-16(22)20-11-9-19(10-12-20)14-6-4-5-8-17-14/h4-6,8H,2-3,7,9-13H2,1H3,(H,18,21)
InChIKeyNKKOQVIKYLHHIZ-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.04
Rot. Bonds6

About N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide

N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (PubChem CID 108941420) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
PubChem CID108941420
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
SMILESCCCCNC(=O)CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H24N4O2/c1-2-3-7-18-15(21)13-16(22)20-11-9-19(10-12-20)14-6-4-5-8-17-14/h4-6,8H,2-3,7,9-13H2,1H3,(H,18,21)
InChIKeyNKKOQVIKYLHHIZ-UHFFFAOYSA-N
XLogP1.04
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
N-pentyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109048339
3-oxo-N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108940649
2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide
CID 51100747
7-amino-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]heptanamide;dihydrochloride
CID 119870734
N-(4-ethoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950910
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
N-(3-ethoxypropyl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 17171271
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]propane-1-sulfonamide
CID 51100868
N-[(3,4-dimethoxyphenyl)methyl]-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108949886

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide (CID 108941420) is N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is CCCCNC(=O)CC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is NKKOQVIKYLHHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-2-3-7-18-15(21)13-16(22)20-11-9-19(10-12-20)14-6-4-5-8-17-14/h4-6,8H,2-3,7,9-13H2,1H3,(H,18,21).
What are the key properties of N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide?
N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 304.39 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 108941420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).