1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one

C21H27N3O3 — CID 91915303

IUPAC1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCC(c2nn(C)c3c2COCC3)CC1
InChIInChI=1S/C21H27N3O3/c1-15(27-17-6-4-3-5-7-17)21(25)24-11-8-16(9-12-24)20-18-14-26-13-10-19(18)23(2)22-20/h3-7,15-16H,8-14H2,1-2H3
InChIKeyMREYSDPVHSYSPX-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.67
Rot. Bonds4

About 1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one

1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one (PubChem CID 91915303) has the molecular formula C21H27N3O3 and a molecular weight of 369.46 g/mol. Its IUPAC name is 1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one
PubChem CID91915303
Molecular FormulaC21H27N3O3
Molecular Weight369.46 g/mol
Exact Mass369.21
IUPAC Name1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one
SMILESCC(Oc1ccccc1)C(=O)N1CCC(c2nn(C)c3c2COCC3)CC1
InChIInChI=1S/C21H27N3O3/c1-15(27-17-6-4-3-5-7-17)21(25)24-11-8-16(9-12-24)20-18-14-26-13-10-19(18)23(2)22-20/h3-7,15-16H,8-14H2,1-2H3
InChIKeyMREYSDPVHSYSPX-UHFFFAOYSA-N
XLogP2.67
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one with MolForge

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Related Compounds

[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 91915294
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
(2S)-2-phenoxy-1-(4-thiophen-3-ylpiperidin-1-yl)propan-1-one
CID 95984069
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 75479278
(2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 124731707
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119520564
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 66262018
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 110885318
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
CID 734825
1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-phenoxypropan-1-one
CID 16822756
4-ethyl-2-(2-methoxyethyl)-5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 121115193

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one?
The IUPAC name of 1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one (CID 91915303) is 1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one?
The canonical SMILES for 1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one is CC(Oc1ccccc1)C(=O)N1CCC(c2nn(C)c3c2COCC3)CC1.
What is the InChIKey of 1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one?
The InChIKey is MREYSDPVHSYSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-15(27-17-6-4-3-5-7-17)21(25)24-11-8-16(9-12-24)20-18-14-26-13-10-19(18)23(2)22-20/h3-7,15-16H,8-14H2,1-2H3.
What are the key properties of 1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one?
1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one has a molecular weight of 369.46 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)piperidin-1-yl]-2-phenoxypropan-1-one is sourced from PubChem (CID 91915303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).