4-piperidin-1-yl-2-propyl-5H-cyclopenta[d]pyrimidine

C15H21N3 — CID 59474268

IUPAC4-piperidin-1-yl-2-propyl-5H-cyclopenta[d]pyrimidine
SMILESCCCc1nc2c(c(N3CCCCC3)n1)CC=C2
InChIInChI=1S/C15H21N3/c1-2-7-14-16-13-9-6-8-12(13)15(17-14)18-10-4-3-5-11-18/h6,9H,2-5,7-8,10-11H2,1H3
InChIKeyXYERLPHFGWVHAQ-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.99
Rot. Bonds3

About 4-piperidin-1-yl-2-propyl-5H-cyclopenta[d]pyrimidine

4-piperidin-1-yl-2-propyl-5H-cyclopenta[d]pyrimidine (PubChem CID 59474268) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-piperidin-1-yl-2-propyl-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-piperidin-1-yl-2-propyl-5H-cyclopenta[d]pyrimidine
PubChem CID59474268
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name4-piperidin-1-yl-2-propyl-5H-cyclopenta[d]pyrimidine
SMILESCCCc1nc2c(c(N3CCCCC3)n1)CC=C2
InChIInChI=1S/C15H21N3/c1-2-7-14-16-13-9-6-8-12(13)15(17-14)18-10-4-3-5-11-18/h6,9H,2-5,7-8,10-11H2,1H3
InChIKeyXYERLPHFGWVHAQ-UHFFFAOYSA-N
XLogP2.99
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-2-propyl-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-piperidin-1-yl-2-propyl-5H-cyclopenta[d]pyrimidine (CID 59474268) is 4-piperidin-1-yl-2-propyl-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-piperidin-1-yl-2-propyl-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-piperidin-1-yl-2-propyl-5H-cyclopenta[d]pyrimidine is CCCc1nc2c(c(N3CCCCC3)n1)CC=C2.
What is the InChIKey of 4-piperidin-1-yl-2-propyl-5H-cyclopenta[d]pyrimidine?
The InChIKey is XYERLPHFGWVHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-7-14-16-13-9-6-8-12(13)15(17-14)18-10-4-3-5-11-18/h6,9H,2-5,7-8,10-11H2,1H3.
What are the key properties of 4-piperidin-1-yl-2-propyl-5H-cyclopenta[d]pyrimidine?
4-piperidin-1-yl-2-propyl-5H-cyclopenta[d]pyrimidine has a molecular weight of 243.35 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-2-propyl-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 59474268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).