N-cyclopropyl-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

C16H23N5O2 — CID 108957439

IUPACN-cyclopropyl-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C)(C(=O)NC1CC1)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H23N5O2/c1-16(2,13(22)19-12-4-5-12)14(23)20-8-10-21(11-9-20)15-17-6-3-7-18-15/h3,6-7,12H,4-5,8-11H2,1-2H3,(H,19,22)
InChIKeyDYDPCOGFDNUEGV-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.43
Rot. Bonds4

About N-cyclopropyl-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide

N-cyclopropyl-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (PubChem CID 108957439) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-cyclopropyl-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
PubChem CID108957439
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC NameN-cyclopropyl-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
SMILESCC(C)(C(=O)NC1CC1)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H23N5O2/c1-16(2,13(22)19-12-4-5-12)14(23)20-8-10-21(11-9-20)15-17-6-3-7-18-15/h3,6-7,12H,4-5,8-11H2,1-2H3,(H,19,22)
InChIKeyDYDPCOGFDNUEGV-UHFFFAOYSA-N
XLogP0.43
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.43
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-cyclopropyl-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 47281905
2-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 61265591
2-methyl-2-(methylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 62835425
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108990409
N-(4-chlorophenyl)-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108965652
2-(ethylamino)-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62832512
2,2-dimethyl-3-oxo-N-(4-propan-2-ylphenyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108965646
N-cyclopropyl-2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109130885
N-cyclopropyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108970652
2-amino-2-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 60866816
N-[(2-fluorophenyl)methyl]-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108962413
2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 60671657

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-cyclopropyl-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide (CID 108957439) is N-cyclopropyl-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-cyclopropyl-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is CC(C)(C(=O)NC1CC1)C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-cyclopropyl-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
The InChIKey is DYDPCOGFDNUEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-16(2,13(22)19-12-4-5-12)14(23)20-8-10-21(11-9-20)15-17-6-3-7-18-15/h3,6-7,12H,4-5,8-11H2,1-2H3,(H,19,22).
What are the key properties of N-cyclopropyl-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide?
N-cyclopropyl-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide has a molecular weight of 317.39 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 108957439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).