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

C22H26N4O3 — CID 110239245

IUPACN-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC2CCCN(c3ncc4c(n3)CCOC4)C2)cc1
InChIInChI=1S/C22H26N4O3/c1-2-11-29-19-7-5-16(6-8-19)21(27)24-18-4-3-10-26(14-18)22-23-13-17-15-28-12-9-20(17)25-22/h2,5-8,13,18H,1,3-4,9-12,14-15H2,(H,24,27)
InChIKeyABQZZEOLOIMMGC-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.51
Rot. Bonds6

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

N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-4-prop-2-enoxybenzamide (PubChem CID 110239245) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-4-prop-2-enoxybenzamide
PubChem CID110239245
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NC2CCCN(c3ncc4c(n3)CCOC4)C2)cc1
InChIInChI=1S/C22H26N4O3/c1-2-11-29-19-7-5-16(6-8-19)21(27)24-18-4-3-10-26(14-18)22-23-13-17-15-28-12-9-20(17)25-22/h2,5-8,13,18H,1,3-4,9-12,14-15H2,(H,24,27)
InChIKeyABQZZEOLOIMMGC-UHFFFAOYSA-N
XLogP2.51
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-ethyl-1,2-oxazole-5-carboxamide
CID 92589124
N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-5-ethyl-1,2-oxazole-3-carboxamide
CID 92589072
5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1,2-oxazole-3-carboxamide
CID 92567796
(E)-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-4-phenylbut-3-enamide
CID 92573942
N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(1,2-oxazol-5-yl)propanamide
CID 110239205
5-cyclopropyl-N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-methylfuran-3-carboxamide
CID 92606277
4-chloro-N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-1-ethylpyrazole-3-carboxamide
CID 92589825
N-[(3S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-pyrazol-1-ylpropanamide
CID 92578320
N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 110239212
N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)pyrrolidin-3-yl]-2-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 56602708
N-[(3R)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 92576515
N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-3-(3-methoxy-1,2-oxazol-5-yl)propanamide
CID 110239241

Frequently Asked Questions

What is the IUPAC name of N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-4-prop-2-enoxybenzamide?
The IUPAC name of N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-4-prop-2-enoxybenzamide (CID 110239245) is N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-4-prop-2-enoxybenzamide?
The canonical SMILES for N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NC2CCCN(c3ncc4c(n3)CCOC4)C2)cc1.
What is the InChIKey of N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-4-prop-2-enoxybenzamide?
The InChIKey is ABQZZEOLOIMMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-2-11-29-19-7-5-16(6-8-19)21(27)24-18-4-3-10-26(14-18)22-23-13-17-15-28-12-9-20(17)25-22/h2,5-8,13,18H,1,3-4,9-12,14-15H2,(H,24,27).
What are the key properties of N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-4-prop-2-enoxybenzamide?
N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-4-prop-2-enoxybenzamide has a molecular weight of 394.48 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperidin-3-yl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 110239245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).