(2R)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide

C21H25FN4O3 — CID 92551457

IUPAC(2R)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)NC1CCN(c2ncc3c(n2)CCOC3)CC1
InChIInChI=1S/C21H25FN4O3/c1-14(29-18-4-2-16(22)3-5-18)20(27)24-17-6-9-26(10-7-17)21-23-12-15-13-28-11-8-19(15)25-21/h2-5,12,14,17H,6-11,13H2,1H3,(H,24,27)/t14-/m1/s1
InChIKeyZRPOSJXVWAQINA-CQSZACIVSA-N
MW400.45 g/mol
LogP2.24
Rot. Bonds5

About (2R)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide

(2R)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide (PubChem CID 92551457) has the molecular formula C21H25FN4O3 and a molecular weight of 400.45 g/mol. Its IUPAC name is (2R)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide
PubChem CID92551457
Molecular FormulaC21H25FN4O3
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC Name(2R)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide
SMILESC[C@@H](Oc1ccc(F)cc1)C(=O)NC1CCN(c2ncc3c(n2)CCOC3)CC1
InChIInChI=1S/C21H25FN4O3/c1-14(29-18-4-2-16(22)3-5-18)20(27)24-17-6-9-26(10-7-17)21-23-12-15-13-28-11-8-19(15)25-21/h2-5,12,14,17H,6-11,13H2,1H3,(H,24,27)/t14-/m1/s1
InChIKeyZRPOSJXVWAQINA-CQSZACIVSA-N
XLogP2.24
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide?
The IUPAC name of (2R)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide (CID 92551457) is (2R)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide.
What is the SMILES notation for (2R)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide?
The canonical SMILES for (2R)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide is C[C@@H](Oc1ccc(F)cc1)C(=O)NC1CCN(c2ncc3c(n2)CCOC3)CC1.
What is the InChIKey of (2R)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide?
The InChIKey is ZRPOSJXVWAQINA-CQSZACIVSA-N. The full InChI is InChI=1S/C21H25FN4O3/c1-14(29-18-4-2-16(22)3-5-18)20(27)24-17-6-9-26(10-7-17)21-23-12-15-13-28-11-8-19(15)25-21/h2-5,12,14,17H,6-11,13H2,1H3,(H,24,27)/t14-/m1/s1.
What are the key properties of (2R)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide?
(2R)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide has a molecular weight of 400.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-4-yl]-2-(4-fluorophenoxy)propanamide is sourced from PubChem (CID 92551457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).