N-[3-(diethylamino)propyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide

C19H30N6O2 — CID 46282532

IUPACN-[3-(diethylamino)propyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(c2ncnc3onc(C)c23)CC1
InChIInChI=1S/C19H30N6O2/c1-4-24(5-2)10-6-9-20-18(26)15-7-11-25(12-8-15)17-16-14(3)23-27-19(16)22-13-21-17/h13,15H,4-12H2,1-3H3,(H,20,26)
InChIKeyABMJLPLYEMTHJA-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.99
Rot. Bonds8

About N-[3-(diethylamino)propyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide

N-[3-(diethylamino)propyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 46282532) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID46282532
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC NameN-[3-(diethylamino)propyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCCN(CC)CCCNC(=O)C1CCN(c2ncnc3onc(C)c23)CC1
InChIInChI=1S/C19H30N6O2/c1-4-24(5-2)10-6-9-20-18(26)15-7-11-25(12-8-15)17-16-14(3)23-27-19(16)22-13-21-17/h13,15H,4-12H2,1-3H3,(H,20,26)
InChIKeyABMJLPLYEMTHJA-UHFFFAOYSA-N
XLogP1.99
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 20929246
1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
CID 20929284
N-[2-(diethylamino)ethyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 46364269
N-cycloheptyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929218
N-butyl-1-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 46289963
1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-3-carboxamide
CID 20929378
N-[3-(diethylamino)propyl]-1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 56585139
[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-(4-propylpiperazin-1-yl)methanone
CID 20929324
N-(1-benzylpiperidin-4-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929263
1-(5-cyano-2-pyridinyl)-N-[3-(diethylamino)propyl]piperidine-4-carboxamide
CID 51328372
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[3-(4-methoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]piperidine-4-carboxamide
CID 46364297
1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[2-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide
CID 20929427

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(diethylamino)propyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 46282532) is N-[3-(diethylamino)propyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide is CCN(CC)CCCNC(=O)C1CCN(c2ncnc3onc(C)c23)CC1.
What is the InChIKey of N-[3-(diethylamino)propyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is ABMJLPLYEMTHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-4-24(5-2)10-6-9-20-18(26)15-7-11-25(12-8-15)17-16-14(3)23-27-19(16)22-13-21-17/h13,15H,4-12H2,1-3H3,(H,20,26).
What are the key properties of N-[3-(diethylamino)propyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-[3-(diethylamino)propyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46282532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).