N-[1-(1-methoxy-2-methyl-3-oxo-3-thiophen-2-ylpropyl)piperidin-4-yl]-N-phenylpropanamide

C23H30N2O3S — CID 57246488

IUPACN-[1-(1-methoxy-2-methyl-3-oxo-3-thiophen-2-ylpropyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(C(OC)C(C)C(=O)c2cccs2)CC1
InChIInChI=1S/C23H30N2O3S/c1-4-21(26)25(18-9-6-5-7-10-18)19-12-14-24(15-13-19)23(28-3)17(2)22(27)20-11-8-16-29-20/h5-11,16-17,19,23H,4,12-15H2,1-3H3
InChIKeyGCQMIJGBNDKIBD-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.45
Rot. Bonds8

About N-[1-(1-methoxy-2-methyl-3-oxo-3-thiophen-2-ylpropyl)piperidin-4-yl]-N-phenylpropanamide

N-[1-(1-methoxy-2-methyl-3-oxo-3-thiophen-2-ylpropyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 57246488) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N-[1-(1-methoxy-2-methyl-3-oxo-3-thiophen-2-ylpropyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(1-methoxy-2-methyl-3-oxo-3-thiophen-2-ylpropyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID57246488
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN-[1-(1-methoxy-2-methyl-3-oxo-3-thiophen-2-ylpropyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(C(OC)C(C)C(=O)c2cccs2)CC1
InChIInChI=1S/C23H30N2O3S/c1-4-21(26)25(18-9-6-5-7-10-18)19-12-14-24(15-13-19)23(28-3)17(2)22(27)20-11-8-16-29-20/h5-11,16-17,19,23H,4,12-15H2,1-3H3
InChIKeyGCQMIJGBNDKIBD-UHFFFAOYSA-N
XLogP4.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-N-[1-[(2S)-1-phenylpropan-2-yl]piperidin-4-yl]propanamide
CID 36689715
N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 23339066
N-[1-[(1S)-1-[2-[(1R)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 139386864
oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 86736486
N-[3-methyl-1-(1-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 23623859
N-[1-[2-(2,6-dimethoxyphenyl)ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 165361588
N-[3-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-yl]-N-phenylpropanamide
CID 53316367
N-[1-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperidin-4-yl]-N-phenylpropanamide;hydrochloride
CID 165365092
N-[1-[3-hydroxy-1-methoxy-3-(5-methylfuran-2-yl)propyl]piperidin-4-yl]-N-phenylpropanamide
CID 57209271
oxalic acid;N-phenyl-N-piperidin-4-ylpropanamide
CID 117065158
N-(1-butylpiperidin-4-yl)-N-phenylpropanamide
CID 91753688
1,1-diethoxyethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 166758697

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methoxy-2-methyl-3-oxo-3-thiophen-2-ylpropyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-(1-methoxy-2-methyl-3-oxo-3-thiophen-2-ylpropyl)piperidin-4-yl]-N-phenylpropanamide (CID 57246488) is N-[1-(1-methoxy-2-methyl-3-oxo-3-thiophen-2-ylpropyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-(1-methoxy-2-methyl-3-oxo-3-thiophen-2-ylpropyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-(1-methoxy-2-methyl-3-oxo-3-thiophen-2-ylpropyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(C(OC)C(C)C(=O)c2cccs2)CC1.
What is the InChIKey of N-[1-(1-methoxy-2-methyl-3-oxo-3-thiophen-2-ylpropyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is GCQMIJGBNDKIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-4-21(26)25(18-9-6-5-7-10-18)19-12-14-24(15-13-19)23(28-3)17(2)22(27)20-11-8-16-29-20/h5-11,16-17,19,23H,4,12-15H2,1-3H3.
What are the key properties of N-[1-(1-methoxy-2-methyl-3-oxo-3-thiophen-2-ylpropyl)piperidin-4-yl]-N-phenylpropanamide?
N-[1-(1-methoxy-2-methyl-3-oxo-3-thiophen-2-ylpropyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 414.57 g/mol, XLogP of 4.45, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methoxy-2-methyl-3-oxo-3-thiophen-2-ylpropyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 57246488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).