N-(4-methoxyphenyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide

C21H26N4O2 — CID 655328

IUPACN-(4-methoxyphenyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3nc(C)nc4c3CCC4)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-14-22-19-5-3-4-18(19)20(23-14)25-12-10-15(11-13-25)21(26)24-16-6-8-17(27-2)9-7-16/h6-9,15H,3-5,10-13H2,1-2H3,(H,24,26)
InChIKeyXUOGZVOTIHEMFS-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.14
Rot. Bonds4

About N-(4-methoxyphenyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide

N-(4-methoxyphenyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 655328) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID655328
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-(4-methoxyphenyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)C2CCN(c3nc(C)nc4c3CCC4)CC2)cc1
InChIInChI=1S/C21H26N4O2/c1-14-22-19-5-3-4-18(19)20(23-14)25-12-10-15(11-13-25)21(26)24-16-6-8-17(27-2)9-7-16/h6-9,15H,3-5,10-13H2,1-2H3,(H,24,26)
InChIKeyXUOGZVOTIHEMFS-UHFFFAOYSA-N
XLogP3.14
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 655328) is N-(4-methoxyphenyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide is COc1ccc(NC(=O)C2CCN(c3nc(C)nc4c3CCC4)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is XUOGZVOTIHEMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14-22-19-5-3-4-18(19)20(23-14)25-12-10-15(11-13-25)21(26)24-16-6-8-17(27-2)9-7-16/h6-9,15H,3-5,10-13H2,1-2H3,(H,24,26).
What are the key properties of N-(4-methoxyphenyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-(4-methoxyphenyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 655328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).