[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone

C27H27FN2O3 — CID 38373556

IUPAC[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCC[C@@H](C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1
InChIInChI=1S/C27H27FN2O3/c28-22-12-10-20(11-13-22)25-18-30(15-16-33-25)26(31)21-7-4-14-29(17-21)27(32)24-9-3-6-19-5-1-2-8-23(19)24/h1-3,5-6,8-13,21,25H,4,7,14-18H2/t21-,25-/m1/s1
InChIKeyFBVFBBLWVIWNOP-PXDATVDWSA-N
MW446.52 g/mol
LogP4.43
Rot. Bonds3

About [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone

[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone (PubChem CID 38373556) has the molecular formula C27H27FN2O3 and a molecular weight of 446.52 g/mol. Its IUPAC name is [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone
PubChem CID38373556
Molecular FormulaC27H27FN2O3
Molecular Weight446.52 g/mol
Exact Mass446.20
IUPAC Name[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCC[C@@H](C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1
InChIInChI=1S/C27H27FN2O3/c28-22-12-10-20(11-13-22)25-18-30(15-16-33-25)26(31)21-7-4-14-29(17-21)27(32)24-9-3-6-19-5-1-2-8-23(19)24/h1-3,5-6,8-13,21,25H,4,7,14-18H2/t21-,25-/m1/s1
InChIKeyFBVFBBLWVIWNOP-PXDATVDWSA-N
XLogP4.43
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.52
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone with MolForge

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Related Compounds

1-[(3S)-3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 94037830
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone
CID 46568763
[2-(4-fluorophenyl)morpholin-4-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 47023687
1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 51239998
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
(4-fluorophenyl)-[2-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanone
CID 42949392
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
[2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 60963365
[2-(4-fluorophenyl)morpholin-4-yl]-(2-pyrrolidin-1-ylquinolin-3-yl)methanone
CID 56540662
[(2S)-2-methylmorpholin-4-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 42002042
(2-methylmorpholin-4-yl)-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 47016285
(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone (CID 38373556) is [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone is O=C(c1cccc2ccccc12)N1CCC[C@@H](C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1.
What is the InChIKey of [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone?
The InChIKey is FBVFBBLWVIWNOP-PXDATVDWSA-N. The full InChI is InChI=1S/C27H27FN2O3/c28-22-12-10-20(11-13-22)25-18-30(15-16-33-25)26(31)21-7-4-14-29(17-21)27(32)24-9-3-6-19-5-1-2-8-23(19)24/h1-3,5-6,8-13,21,25H,4,7,14-18H2/t21-,25-/m1/s1.
What are the key properties of [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone?
[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone has a molecular weight of 446.52 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-fluorophenyl)morpholin-4-yl]-[(3R)-1-(naphthalene-1-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 38373556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).