N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide

C21H26N2O3S — CID 42515547

IUPACN-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
SMILESCOc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3ccsc3)C2)c1
InChIInChI=1S/C21H26N2O3S/c1-26-19-6-2-4-17(12-19)13-22-20(24)8-7-16-5-3-10-23(14-16)21(25)18-9-11-27-15-18/h2,4,6,9,11-12,15-16H,3,5,7-8,10,13-14H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyOYOMIYGIIBFWFR-MRXNPFEDSA-N
MW386.52 g/mol
LogP3.71
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide

N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide (PubChem CID 42515547) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
PubChem CID42515547
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
SMILESCOc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3ccsc3)C2)c1
InChIInChI=1S/C21H26N2O3S/c1-26-19-6-2-4-17(12-19)13-22-20(24)8-7-16-5-3-10-23(14-16)21(25)18-9-11-27-15-18/h2,4,6,9,11-12,15-16H,3,5,7-8,10,13-14H2,1H3,(H,22,24)/t16-/m1/s1
InChIKeyOYOMIYGIIBFWFR-MRXNPFEDSA-N
XLogP3.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-[1-(1H-pyrrole-3-carbonyl)piperidin-3-yl]propanamide
CID 72935785
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(1H-pyrazole-4-carbonyl)piperidin-3-yl]propanamide
CID 97276292
N-[(3-methoxyphenyl)methyl]-3-[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]propanamide
CID 97282425
ethyl 2-[[3-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]piperidine-1-carbonyl]amino]acetate
CID 45180239
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide
CID 42515116
N-[(3-methoxyphenyl)methyl]-3-[1-(3-phenoxypropanoyl)piperidin-3-yl]propanamide
CID 45198010
N-[(3-methoxyphenyl)methyl]-3-[1-(2-pyridin-3-ylacetyl)piperidin-3-yl]propanamide
CID 45218064
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-[2-(tetrazol-1-yl)acetyl]piperidin-3-yl]propanamide
CID 26330387
N-cyclopropyl-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
CID 45207272
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(3-pyrazin-2-ylpropanoyl)piperidin-3-yl]propanamide
CID 42566889
N-(2-fluorophenyl)-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
CID 72886779
3-[(3R)-1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 26412386

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide (CID 42515547) is N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide is COc1cccc(CNC(=O)CC[C@H]2CCCN(C(=O)c3ccsc3)C2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide?
The InChIKey is OYOMIYGIIBFWFR-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-26-19-6-2-4-17(12-19)13-22-20(24)8-7-16-5-3-10-23(14-16)21(25)18-9-11-27-15-18/h2,4,6,9,11-12,15-16H,3,5,7-8,10,13-14H2,1H3,(H,22,24)/t16-/m1/s1.
What are the key properties of N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide?
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 386.52 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 42515547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).