piperidine;5-(piperidin-1-ylmethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

C17H27N5O — CID 135403634

IUPACpiperidine;5-(piperidin-1-ylmethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESC1CCNCC1.O=c1[nH]cnc2[nH]cc(CN3CCCCC3)c12
InChIInChI=1S/C12H16N4O.C5H11N/c17-12-10-9(6-13-11(10)14-8-15-12)7-16-4-2-1-3-5-16;1-2-4-6-5-3-1/h6,8H,1-5,7H2,(H2,13,14,15,17);6H,1-5H2
InChIKeyPLVRWVNQTYMHQU-UHFFFAOYSA-N
MW317.44 g/mol
LogP2.00
Rot. Bonds2

About piperidine;5-(piperidin-1-ylmethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

piperidine;5-(piperidin-1-ylmethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 135403634) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is piperidine;5-(piperidin-1-ylmethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Namepiperidine;5-(piperidin-1-ylmethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
PubChem CID135403634
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Namepiperidine;5-(piperidin-1-ylmethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
SMILESC1CCNCC1.O=c1[nH]cnc2[nH]cc(CN3CCCCC3)c12
InChIInChI=1S/C12H16N4O.C5H11N/c17-12-10-9(6-13-11(10)14-8-15-12)7-16-4-2-1-3-5-16;1-2-4-6-5-3-1/h6,8H,1-5,7H2,(H2,13,14,15,17);6H,1-5H2
InChIKeyPLVRWVNQTYMHQU-UHFFFAOYSA-N
XLogP2.00
TPSA76.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidine;5-(piperidin-1-ylmethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of piperidine;5-(piperidin-1-ylmethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one (CID 135403634) is piperidine;5-(piperidin-1-ylmethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for piperidine;5-(piperidin-1-ylmethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for piperidine;5-(piperidin-1-ylmethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is C1CCNCC1.O=c1[nH]cnc2[nH]cc(CN3CCCCC3)c12.
What is the InChIKey of piperidine;5-(piperidin-1-ylmethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is PLVRWVNQTYMHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O.C5H11N/c17-12-10-9(6-13-11(10)14-8-15-12)7-16-4-2-1-3-5-16;1-2-4-6-5-3-1/h6,8H,1-5,7H2,(H2,13,14,15,17);6H,1-5H2.
What are the key properties of piperidine;5-(piperidin-1-ylmethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one?
piperidine;5-(piperidin-1-ylmethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 317.44 g/mol, XLogP of 2.00, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;5-(piperidin-1-ylmethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135403634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).