2-methyl-3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

C14H21N3O — CID 82105309

IUPAC2-methyl-3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1CC1CCNCC1)CCC2
InChIInChI=1S/C14H21N3O/c1-10-16-13-4-2-3-12(13)14(18)17(10)9-11-5-7-15-8-6-11/h11,15H,2-9H2,1H3
InChIKeyPDPWZCCJJZMUSR-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.04
Rot. Bonds2

About 2-methyl-3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one

2-methyl-3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (PubChem CID 82105309) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
PubChem CID82105309
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-methyl-3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1CC1CCNCC1)CCC2
InChIInChI=1S/C14H21N3O/c1-10-16-13-4-2-3-12(13)14(18)17(10)9-11-5-7-15-8-6-11/h11,15H,2-9H2,1H3
InChIKeyPDPWZCCJJZMUSR-UHFFFAOYSA-N
XLogP1.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-methyl-3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one (CID 82105309) is 2-methyl-3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is Cc1nc2c(c(=O)n1CC1CCNCC1)CCC2.
What is the InChIKey of 2-methyl-3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
The InChIKey is PDPWZCCJJZMUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-16-13-4-2-3-12(13)14(18)17(10)9-11-5-7-15-8-6-11/h11,15H,2-9H2,1H3.
What are the key properties of 2-methyl-3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one?
2-methyl-3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one has a molecular weight of 247.34 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(piperidin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 82105309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).