3-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C20H30N2O4S — CID 25282250

IUPAC3-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCSCc1ccc(C(=O)N2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)o1
InChIInChI=1S/C20H30N2O4S/c1-27-14-17-5-6-18(26-17)20(24)22-10-8-15(9-11-22)4-7-19(23)21-13-16-3-2-12-25-16/h5-6,15-16H,2-4,7-14H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyGMRZKXFCZZWNCO-INIZCTEOSA-N
MW394.54 g/mol
LogP3.07
Rot. Bonds8

About 3-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

3-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 25282250) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is 3-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID25282250
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC Name3-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCSCc1ccc(C(=O)N2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)o1
InChIInChI=1S/C20H30N2O4S/c1-27-14-17-5-6-18(26-17)20(24)22-10-8-15(9-11-22)4-7-19(23)21-13-16-3-2-12-25-16/h5-6,15-16H,2-4,7-14H2,1H3,(H,21,23)/t16-/m0/s1
InChIKeyGMRZKXFCZZWNCO-INIZCTEOSA-N
XLogP3.07
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide with MolForge

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Related Compounds

3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 72862698
3-[1-(6-methyl-4-oxopyran-2-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 97272642
3-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42214760
[5-(methylsulfanylmethyl)furan-2-yl]-piperidin-1-ylmethanone
CID 60634727
3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 45229016
3-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 42381634
[5-(methylsulfanylmethyl)furan-2-yl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 118773727
ethyl 4-[4-[3-oxo-3-(oxolan-2-ylmethylamino)propyl]piperidin-1-yl]piperidine-1-carboxylate
CID 45214419
4-(methylsulfanylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 18160219
N-[[(2R)-oxolan-2-yl]methyl]-3-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]propanamide
CID 95208034
2-methylsulfanyl-N-(oxolan-2-ylmethyl)acetamide
CID 51109505
3-[1-[(5-cyclopentylthiophen-2-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42567316

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of 3-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 25282250) is 3-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for 3-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for 3-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is CSCc1ccc(C(=O)N2CCC(CCC(=O)NC[C@@H]3CCCO3)CC2)o1.
What is the InChIKey of 3-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is GMRZKXFCZZWNCO-INIZCTEOSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-27-14-17-5-6-18(26-17)20(24)22-10-8-15(9-11-22)4-7-19(23)21-13-16-3-2-12-25-16/h5-6,15-16H,2-4,7-14H2,1H3,(H,21,23)/t16-/m0/s1.
What are the key properties of 3-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
3-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 394.54 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 25282250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).