4-piperidin-1-yl-1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide

C17H24N6O — CID 138378151

IUPAC4-piperidin-1-yl-1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(c2ncnc3cc[nH]c23)CC1
InChIInChI=1S/C17H24N6O/c18-16(24)17(23-8-2-1-3-9-23)5-10-22(11-6-17)15-14-13(4-7-19-14)20-12-21-15/h4,7,12,19H,1-3,5-6,8-11H2,(H2,18,24)
InChIKeyKHDSBBMQCJECBK-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.27
Rot. Bonds3

About 4-piperidin-1-yl-1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide

4-piperidin-1-yl-1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 138378151) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-piperidin-1-yl-1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID138378151
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name4-piperidin-1-yl-1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(c2ncnc3cc[nH]c23)CC1
InChIInChI=1S/C17H24N6O/c18-16(24)17(23-8-2-1-3-9-23)5-10-22(11-6-17)15-14-13(4-7-19-14)20-12-21-15/h4,7,12,19H,1-3,5-6,8-11H2,(H2,18,24)
InChIKeyKHDSBBMQCJECBK-UHFFFAOYSA-N
XLogP1.27
TPSA91.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 4-piperidin-1-yl-1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 138378151) is 4-piperidin-1-yl-1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-piperidin-1-yl-1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-piperidin-1-yl-1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide is NC(=O)C1(N2CCCCC2)CCN(c2ncnc3cc[nH]c23)CC1.
What is the InChIKey of 4-piperidin-1-yl-1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is KHDSBBMQCJECBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c18-16(24)17(23-8-2-1-3-9-23)5-10-22(11-6-17)15-14-13(4-7-19-14)20-12-21-15/h4,7,12,19H,1-3,5-6,8-11H2,(H2,18,24).
What are the key properties of 4-piperidin-1-yl-1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide?
4-piperidin-1-yl-1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 138378151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).