3-oxo-N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

C14H21N5O2 — CID 108940649

IUPAC3-oxo-N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESCCCNC(=O)CC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H21N5O2/c1-2-4-15-12(20)11-13(21)18-7-9-19(10-8-18)14-16-5-3-6-17-14/h3,5-6H,2,4,7-11H2,1H3,(H,15,20)
InChIKeyGTVJKOJZQFQSRG-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.04
Rot. Bonds5

About 3-oxo-N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

3-oxo-N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (PubChem CID 108940649) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-oxo-N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound Name3-oxo-N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
PubChem CID108940649
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name3-oxo-N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESCCCNC(=O)CC(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H21N5O2/c1-2-4-15-12(20)11-13(21)18-7-9-19(10-8-18)14-16-5-3-6-17-14/h3,5-6H,2,4,7-11H2,1H3,(H,15,20)
InChIKeyGTVJKOJZQFQSRG-UHFFFAOYSA-N
XLogP0.04
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108943839
N-(3-methoxypropyl)-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108943296
2-(propylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 60671666
N-butyl-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108941420
2-(butylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108993062
N-[(4-fluorophenyl)methyl]-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108946407
2-ethyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 112994682
N-cycloheptyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108950957
N-propyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 3224206
N-[(3,4-dimethoxyphenyl)methyl]-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108949887
N-[4-(dimethylamino)phenyl]-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108951025
methyl 4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
CID 110756099

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of 3-oxo-N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (CID 108940649) is 3-oxo-N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for 3-oxo-N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for 3-oxo-N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is CCCNC(=O)CC(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-oxo-N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is GTVJKOJZQFQSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-2-4-15-12(20)11-13(21)18-7-9-19(10-8-18)14-16-5-3-6-17-14/h3,5-6H,2,4,7-11H2,1H3,(H,15,20).
What are the key properties of 3-oxo-N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
3-oxo-N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 291.35 g/mol, XLogP of 0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-propyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 108940649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).