(5R)-5-methyl-4-(4-phenylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C19H23N3 — CID 70812056

IUPAC(5R)-5-methyl-4-(4-phenylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESC[C@@H]1CCc2ncnc(N3CCC(c4ccccc4)CC3)c21
InChIInChI=1S/C19H23N3/c1-14-7-8-17-18(14)19(21-13-20-17)22-11-9-16(10-12-22)15-5-3-2-4-6-15/h2-6,13-14,16H,7-12H2,1H3/t14-/m1/s1
InChIKeyOHXXZCCYBOZRCW-CQSZACIVSA-N
MW293.41 g/mol
LogP3.91
Rot. Bonds2

About (5R)-5-methyl-4-(4-phenylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine

(5R)-5-methyl-4-(4-phenylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 70812056) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (5R)-5-methyl-4-(4-phenylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name(5R)-5-methyl-4-(4-phenylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID70812056
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name(5R)-5-methyl-4-(4-phenylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESC[C@@H]1CCc2ncnc(N3CCC(c4ccccc4)CC3)c21
InChIInChI=1S/C19H23N3/c1-14-7-8-17-18(14)19(21-13-20-17)22-11-9-16(10-12-22)15-5-3-2-4-6-15/h2-6,13-14,16H,7-12H2,1H3/t14-/m1/s1
InChIKeyOHXXZCCYBOZRCW-CQSZACIVSA-N
XLogP3.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-4-(4-phenylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of (5R)-5-methyl-4-(4-phenylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 70812056) is (5R)-5-methyl-4-(4-phenylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for (5R)-5-methyl-4-(4-phenylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for (5R)-5-methyl-4-(4-phenylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is C[C@@H]1CCc2ncnc(N3CCC(c4ccccc4)CC3)c21.
What is the InChIKey of (5R)-5-methyl-4-(4-phenylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is OHXXZCCYBOZRCW-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3/c1-14-7-8-17-18(14)19(21-13-20-17)22-11-9-16(10-12-22)15-5-3-2-4-6-15/h2-6,13-14,16H,7-12H2,1H3/t14-/m1/s1.
What are the key properties of (5R)-5-methyl-4-(4-phenylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
(5R)-5-methyl-4-(4-phenylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 293.41 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-4-(4-phenylpiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 70812056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).