1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide

C18H25N5O2 — CID 72893047

IUPAC1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cnn2cccnc12)C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C18H25N5O2/c24-18(20-11-15-12-21-23-8-2-6-19-17(15)23)14-3-1-7-22(13-14)16-4-9-25-10-5-16/h2,6,8,12,14,16H,1,3-5,7,9-11,13H2,(H,20,24)
InChIKeyGGPPUMRDIONLPV-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.24
Rot. Bonds4

About 1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide

1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 72893047) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID72893047
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cnn2cccnc12)C1CCCN(C2CCOCC2)C1
InChIInChI=1S/C18H25N5O2/c24-18(20-11-15-12-21-23-8-2-6-19-17(15)23)14-3-1-7-22(13-14)16-4-9-25-10-5-16/h2,6,8,12,14,16H,1,3-5,7,9-11,13H2,(H,20,24)
InChIKeyGGPPUMRDIONLPV-UHFFFAOYSA-N
XLogP1.24
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide (CID 72893047) is 1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cnn2cccnc12)C1CCCN(C2CCOCC2)C1.
What is the InChIKey of 1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is GGPPUMRDIONLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c24-18(20-11-15-12-21-23-8-2-6-19-17(15)23)14-3-1-7-22(13-14)16-4-9-25-10-5-16/h2,6,8,12,14,16H,1,3-5,7,9-11,13H2,(H,20,24).
What are the key properties of 1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide?
1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 72893047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).