(4-phenoxypiperidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone

C21H27N3O3 — CID 146101185

IUPAC(4-phenoxypiperidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
SMILESC[C@@H]1Cc2c(C(=O)N3CCC(Oc4ccccc4)CC3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C21H27N3O3/c1-14-13-18-19(22-23(3)20(18)15(2)26-14)21(25)24-11-9-17(10-12-24)27-16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3/t14-,15+/m1/s1
InChIKeyRMQJDVWODNKTOU-CABCVRRESA-N
MW369.47 g/mol
LogP3.13
Rot. Bonds3

About (4-phenoxypiperidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone

(4-phenoxypiperidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone (PubChem CID 146101185) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is (4-phenoxypiperidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4-phenoxypiperidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
PubChem CID146101185
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name(4-phenoxypiperidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
SMILESC[C@@H]1Cc2c(C(=O)N3CCC(Oc4ccccc4)CC3)nn(C)c2[C@H](C)O1
InChIInChI=1S/C21H27N3O3/c1-14-13-18-19(22-23(3)20(18)15(2)26-14)21(25)24-11-9-17(10-12-24)27-16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3/t14-,15+/m1/s1
InChIKeyRMQJDVWODNKTOU-CABCVRRESA-N
XLogP3.13
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-phenoxypiperidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

[4-(pyridin-3-ylmethyl)piperazin-1-yl]-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146101131
(3-pyrrolidin-1-ylazetidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146101370
(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146111023
[3-hydroxy-3-(methoxymethyl)azetidin-1-yl]-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146110924
(6-methoxyspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-2-yl)-[(5S,7R)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146110895
4-azaspiro[2.4]heptan-4-yl-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 146101443
(8-fluoro-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone
CID 167795253
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725091
(4-methylsulfinylphenyl)-(4-phenoxypiperidin-1-yl)methanone
CID 86835918
(5-methyl-1-piperidin-4-yltriazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 119725076
2-(4-phenoxypiperidine-1-carbonyl)pyridine-4-carboxylic acid
CID 122055245

Frequently Asked Questions

What is the IUPAC name of (4-phenoxypiperidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The IUPAC name of (4-phenoxypiperidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone (CID 146101185) is (4-phenoxypiperidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone.
What is the SMILES notation for (4-phenoxypiperidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The canonical SMILES for (4-phenoxypiperidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone is C[C@@H]1Cc2c(C(=O)N3CCC(Oc4ccccc4)CC3)nn(C)c2[C@H](C)O1.
What is the InChIKey of (4-phenoxypiperidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
The InChIKey is RMQJDVWODNKTOU-CABCVRRESA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14-13-18-19(22-23(3)20(18)15(2)26-14)21(25)24-11-9-17(10-12-24)27-16-7-5-4-6-8-16/h4-8,14-15,17H,9-13H2,1-3H3/t14-,15+/m1/s1.
What are the key properties of (4-phenoxypiperidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone?
(4-phenoxypiperidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone has a molecular weight of 369.47 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxypiperidin-1-yl)-[(5R,7S)-1,5,7-trimethyl-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-3-yl]methanone is sourced from PubChem (CID 146101185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).