2-(3-methylpiperidin-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C17H27N5 — CID 66525376

IUPAC2-(3-methylpiperidin-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC1CCCN(c2nc3c(c(N4CCNCC4)n2)CCC3)C1
InChIInChI=1S/C17H27N5/c1-13-4-3-9-22(12-13)17-19-15-6-2-5-14(15)16(20-17)21-10-7-18-8-11-21/h13,18H,2-12H2,1H3
InChIKeyFMUSZHWROJQFRZ-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.61
Rot. Bonds2

About 2-(3-methylpiperidin-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine

2-(3-methylpiperidin-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 66525376) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID66525376
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name2-(3-methylpiperidin-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC1CCCN(c2nc3c(c(N4CCNCC4)n2)CCC3)C1
InChIInChI=1S/C17H27N5/c1-13-4-3-9-22(12-13)17-19-15-6-2-5-14(15)16(20-17)21-10-7-18-8-11-21/h13,18H,2-12H2,1H3
InChIKeyFMUSZHWROJQFRZ-UHFFFAOYSA-N
XLogP1.61
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 66525376) is 2-(3-methylpiperidin-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CC1CCCN(c2nc3c(c(N4CCNCC4)n2)CCC3)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is FMUSZHWROJQFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c1-13-4-3-9-22(12-13)17-19-15-6-2-5-14(15)16(20-17)21-10-7-18-8-11-21/h13,18H,2-12H2,1H3.
What are the key properties of 2-(3-methylpiperidin-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
2-(3-methylpiperidin-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 301.44 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 66525376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).