(3R)-N-[2-(5-methylfuran-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide

C19H24N2O2S — CID 97279295

IUPAC(3R)-N-[2-(5-methylfuran-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide
SMILESCSC[C@@H]1CCCN(C(=O)Nc2ccccc2-c2ccc(C)o2)C1
InChIInChI=1S/C19H24N2O2S/c1-14-9-10-18(23-14)16-7-3-4-8-17(16)20-19(22)21-11-5-6-15(12-21)13-24-2/h3-4,7-10,15H,5-6,11-13H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeySMRZCWCMODLCQN-OAHLLOKOSA-N
MW344.48 g/mol
LogP4.86
Rot. Bonds4

About (3R)-N-[2-(5-methylfuran-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide

(3R)-N-[2-(5-methylfuran-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide (PubChem CID 97279295) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is (3R)-N-[2-(5-methylfuran-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(5-methylfuran-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide
PubChem CID97279295
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name(3R)-N-[2-(5-methylfuran-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide
SMILESCSC[C@@H]1CCCN(C(=O)Nc2ccccc2-c2ccc(C)o2)C1
InChIInChI=1S/C19H24N2O2S/c1-14-9-10-18(23-14)16-7-3-4-8-17(16)20-19(22)21-11-5-6-15(12-21)13-24-2/h3-4,7-10,15H,5-6,11-13H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeySMRZCWCMODLCQN-OAHLLOKOSA-N
XLogP4.86
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-methylfuran-2-yl)phenyl]thiomorpholine-4-carboxamide
CID 72875097
(3S)-3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 1457501
methyl 4-methyl-3-[[3-(methylsulfanylmethyl)piperidine-1-carbonyl]amino]benzoate
CID 72889185
N-[2-(5-methylfuran-2-yl)phenyl]acetamide
CID 646782
N-[2-methoxy-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide
CID 72855924
(3S)-N-(4-cyano-2-ethylphenyl)-3-(methylsulfanylmethyl)piperidine-1-carboxamide
CID 97286423
3-ethyl-N-(2-ethylphenyl)piperidine-1-carboxamide
CID 86987456
2-[3-(methylsulfanylmethyl)piperidine-1-carbonyl]benzoic acid
CID 121498037
3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 84529064
(3S)-N-(2-bromophenyl)-3-ethylpiperidine-1-carboxamide
CID 51944008
N-(2-chlorophenyl)-3-[(propanoylamino)methyl]piperidine-1-carboxamide
CID 71840487
3-amino-N-(2-methyl-3-phenylphenyl)piperidine-1-carboxamide
CID 135146828

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(5-methylfuran-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-[2-(5-methylfuran-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide (CID 97279295) is (3R)-N-[2-(5-methylfuran-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-[2-(5-methylfuran-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-[2-(5-methylfuran-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide is CSC[C@@H]1CCCN(C(=O)Nc2ccccc2-c2ccc(C)o2)C1.
What is the InChIKey of (3R)-N-[2-(5-methylfuran-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide?
The InChIKey is SMRZCWCMODLCQN-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-14-9-10-18(23-14)16-7-3-4-8-17(16)20-19(22)21-11-5-6-15(12-21)13-24-2/h3-4,7-10,15H,5-6,11-13H2,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (3R)-N-[2-(5-methylfuran-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide?
(3R)-N-[2-(5-methylfuran-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(5-methylfuran-2-yl)phenyl]-3-(methylsulfanylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97279295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).