N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide

C17H28N4O2 — CID 50956693

IUPACN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CCN(C(C)C)CC2)c(=O)n1
InChIInChI=1S/C17H28N4O2/c1-12(2)20-8-5-15(6-9-20)16(22)18-7-10-21-14(4)11-13(3)19-17(21)23/h11-12,15H,5-10H2,1-4H3,(H,18,22)
InChIKeyKMJBBZPEOXGXIY-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.10
Rot. Bonds5

About N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide

N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 50956693) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID50956693
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide
SMILESCc1cc(C)n(CCNC(=O)C2CCN(C(C)C)CC2)c(=O)n1
InChIInChI=1S/C17H28N4O2/c1-12(2)20-8-5-15(6-9-20)16(22)18-7-10-21-14(4)11-13(3)19-17(21)23/h11-12,15H,5-10H2,1-4H3,(H,18,22)
InChIKeyKMJBBZPEOXGXIY-UHFFFAOYSA-N
XLogP1.10
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US11787802, Example 23
CID 169489604
US11787802, Example 29
CID 169489608
US11787802, Example 86
CID 169489654
6-tert-butyl-N-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide
CID 99970992
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 145865809
1-[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]-N-(2-methoxy-1-methylethyl)piperidine-4-carboxamide
CID 46992593
4-(3,9-diazaspiro[5.6]dodec-9-ylcarbonyl)-6-isobutylpyrimidin-2(1H)-one
CID 56704974
(2R)-2-amino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methylpentanamide
CID 56871875
N-[2-(4,6-dimethyl-2-oxo-1(2H)-pyrimidinyl)ethyl]-2-(1-isopropyl-3-oxo-2-piperazinyl)acetamide
CID 56888439
6-tert-butyl-N-(1-isopropylpiperidin-4-yl)-2-oxo-2,3-dihydropyrimidine-4-carboxamide
CID 90647828
N-(2-aminocyclohexa-2,4-dien-1-yl)-3-[[2-cyclohexa-2,4-dien-1-ylethylcarbamoyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]-2,3-dihydropyridine-6-carboxamide
CID 145488718
ethane;1-methyl-N-[1-[(Z)-[(Z)-pent-3-en-2-ylidene]amino]ethyl]piperidine-4-carboxamide;molecular hydrogen
CID 169170351

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide (CID 50956693) is N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide is Cc1cc(C)n(CCNC(=O)C2CCN(C(C)C)CC2)c(=O)n1.
What is the InChIKey of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is KMJBBZPEOXGXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-12(2)20-8-5-15(6-9-20)16(22)18-7-10-21-14(4)11-13(3)19-17(21)23/h11-12,15H,5-10H2,1-4H3,(H,18,22).
What are the key properties of N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide?
N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 50956693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).