(3-methylthiophen-2-yl)-[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone

C30H36N2O2S — CID 42452488

IUPAC(3-methylthiophen-2-yl)-[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone
SMILESCc1ccsc1C(=O)N1CCC[C@@H](COc2ccc(CN3CCC(c4ccccc4)CC3)cc2)C1
InChIInChI=1S/C30H36N2O2S/c1-23-15-19-35-29(23)30(33)32-16-5-6-25(21-32)22-34-28-11-9-24(10-12-28)20-31-17-13-27(14-18-31)26-7-3-2-4-8-26/h2-4,7-12,15,19,25,27H,5-6,13-14,16-18,20-22H2,1H3/t25-/m1/s1
InChIKeyLQQYPBZJZURPEG-RUZDIDTESA-N
MW488.70 g/mol
LogP6.37
Rot. Bonds7

About (3-methylthiophen-2-yl)-[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone

(3-methylthiophen-2-yl)-[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone (PubChem CID 42452488) has the molecular formula C30H36N2O2S and a molecular weight of 488.70 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone
PubChem CID42452488
Molecular FormulaC30H36N2O2S
Molecular Weight488.70 g/mol
Exact Mass488.25
IUPAC Name(3-methylthiophen-2-yl)-[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone
SMILESCc1ccsc1C(=O)N1CCC[C@@H](COc2ccc(CN3CCC(c4ccccc4)CC3)cc2)C1
InChIInChI=1S/C30H36N2O2S/c1-23-15-19-35-29(23)30(33)32-16-5-6-25(21-32)22-34-28-11-9-24(10-12-28)20-31-17-13-27(14-18-31)26-7-3-2-4-8-26/h2-4,7-12,15,19,25,27H,5-6,13-14,16-18,20-22H2,1H3/t25-/m1/s1
InChIKeyLQQYPBZJZURPEG-RUZDIDTESA-N
XLogP6.37
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.70
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methylthiophen-2-yl)-[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(3-methylthiophen-2-yl)-[(3S)-3-[[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 51631110
furan-2-yl-[3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 45207969
furan-2-yl-[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone
CID 42501418
[(3S)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 125158524
[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 125158523
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 31594710
[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-[3-(phenoxymethyl)piperidin-1-yl]methanone
CID 86971294
4-phenyl-1-[[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methyl]piperidine
CID 125156876
ethyl 4-[[4-[[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate
CID 26321048
ethyl 4-[[4-[[(3R)-1-(furan-2-carbonyl)piperidin-3-yl]methoxy]phenyl]methyl]piperazine-1-carboxylate
CID 26321044
2-(4-ethoxyphenyl)-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 110638412
[(3S)-3-[[4-(morpholin-4-ylmethyl)phenoxy]methyl]piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 29152498

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-methylthiophen-2-yl)-[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone (CID 42452488) is (3-methylthiophen-2-yl)-[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-methylthiophen-2-yl)-[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-methylthiophen-2-yl)-[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone is Cc1ccsc1C(=O)N1CCC[C@@H](COc2ccc(CN3CCC(c4ccccc4)CC3)cc2)C1.
What is the InChIKey of (3-methylthiophen-2-yl)-[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone?
The InChIKey is LQQYPBZJZURPEG-RUZDIDTESA-N. The full InChI is InChI=1S/C30H36N2O2S/c1-23-15-19-35-29(23)30(33)32-16-5-6-25(21-32)22-34-28-11-9-24(10-12-28)20-31-17-13-27(14-18-31)26-7-3-2-4-8-26/h2-4,7-12,15,19,25,27H,5-6,13-14,16-18,20-22H2,1H3/t25-/m1/s1.
What are the key properties of (3-methylthiophen-2-yl)-[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone?
(3-methylthiophen-2-yl)-[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone has a molecular weight of 488.70 g/mol, XLogP of 6.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylthiophen-2-yl)-[(3R)-3-[[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 42452488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).