4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C19H31N5 — CID 70756219

IUPAC4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC(C1CCN(c2ncnc3c2CCC3)CC1)N1CCN(C)CC1
InChIInChI=1S/C19H31N5/c1-15(23-12-10-22(2)11-13-23)16-6-8-24(9-7-16)19-17-4-3-5-18(17)20-14-21-19/h14-16H,3-13H2,1-2H3
InChIKeyQEUWQIRPNDFANB-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.82
Rot. Bonds3

About 4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 70756219) has the molecular formula C19H31N5 and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID70756219
Molecular FormulaC19H31N5
Molecular Weight329.49 g/mol
Exact Mass329.26
IUPAC Name4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCC(C1CCN(c2ncnc3c2CCC3)CC1)N1CCN(C)CC1
InChIInChI=1S/C19H31N5/c1-15(23-12-10-22(2)11-13-23)16-6-8-24(9-7-16)19-17-4-3-5-18(17)20-14-21-19/h14-16H,3-13H2,1-2H3
InChIKeyQEUWQIRPNDFANB-UHFFFAOYSA-N
XLogP1.82
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 70756219) is 4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is CC(C1CCN(c2ncnc3c2CCC3)CC1)N1CCN(C)CC1.
What is the InChIKey of 4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is QEUWQIRPNDFANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5/c1-15(23-12-10-22(2)11-13-23)16-6-8-24(9-7-16)19-17-4-3-5-18(17)20-14-21-19/h14-16H,3-13H2,1-2H3.
What are the key properties of 4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 329.49 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 70756219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).