(2-methylthiomorpholin-4-yl)-(4-phenylpiperidin-4-yl)methanone

C17H24N2OS — CID 115734108

IUPAC(2-methylthiomorpholin-4-yl)-(4-phenylpiperidin-4-yl)methanone
SMILESCC1CN(C(=O)C2(c3ccccc3)CCNCC2)CCS1
InChIInChI=1S/C17H24N2OS/c1-14-13-19(11-12-21-14)16(20)17(7-9-18-10-8-17)15-5-3-2-4-6-15/h2-6,14,18H,7-13H2,1H3
InChIKeyPWLFULVILQBOEY-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.27
Rot. Bonds2

About (2-methylthiomorpholin-4-yl)-(4-phenylpiperidin-4-yl)methanone

(2-methylthiomorpholin-4-yl)-(4-phenylpiperidin-4-yl)methanone (PubChem CID 115734108) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is (2-methylthiomorpholin-4-yl)-(4-phenylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(2-methylthiomorpholin-4-yl)-(4-phenylpiperidin-4-yl)methanone
PubChem CID115734108
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name(2-methylthiomorpholin-4-yl)-(4-phenylpiperidin-4-yl)methanone
SMILESCC1CN(C(=O)C2(c3ccccc3)CCNCC2)CCS1
InChIInChI=1S/C17H24N2OS/c1-14-13-19(11-12-21-14)16(20)17(7-9-18-10-8-17)15-5-3-2-4-6-15/h2-6,14,18H,7-13H2,1H3
InChIKeyPWLFULVILQBOEY-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone
CID 107220719
[(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 81426595
(4-methoxypiperidin-4-yl)-(2-methylthiomorpholin-4-yl)methanone
CID 119774206
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
(1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996455
[(3S)-1-(4-phenylpiperidine-4-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 125167123
(1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone
CID 59716936
4-phenyl-N-piperazin-1-ylpiperidine-4-carboxamide
CID 70118904
(4-bromo-3-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 114683504
(3-chloropyrrolidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 63394917
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419
ethane;(4-methylpiperidin-1-yl)-(1-phenylcyclopropyl)methanone
CID 144893493

Frequently Asked Questions

What is the IUPAC name of (2-methylthiomorpholin-4-yl)-(4-phenylpiperidin-4-yl)methanone?
The IUPAC name of (2-methylthiomorpholin-4-yl)-(4-phenylpiperidin-4-yl)methanone (CID 115734108) is (2-methylthiomorpholin-4-yl)-(4-phenylpiperidin-4-yl)methanone.
What is the SMILES notation for (2-methylthiomorpholin-4-yl)-(4-phenylpiperidin-4-yl)methanone?
The canonical SMILES for (2-methylthiomorpholin-4-yl)-(4-phenylpiperidin-4-yl)methanone is CC1CN(C(=O)C2(c3ccccc3)CCNCC2)CCS1.
What is the InChIKey of (2-methylthiomorpholin-4-yl)-(4-phenylpiperidin-4-yl)methanone?
The InChIKey is PWLFULVILQBOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c1-14-13-19(11-12-21-14)16(20)17(7-9-18-10-8-17)15-5-3-2-4-6-15/h2-6,14,18H,7-13H2,1H3.
What are the key properties of (2-methylthiomorpholin-4-yl)-(4-phenylpiperidin-4-yl)methanone?
(2-methylthiomorpholin-4-yl)-(4-phenylpiperidin-4-yl)methanone has a molecular weight of 304.46 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiomorpholin-4-yl)-(4-phenylpiperidin-4-yl)methanone is sourced from PubChem (CID 115734108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).