N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylthiophene-3-carboxamide

C24H27N3OS — CID 70373665

IUPACN-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylthiophene-3-carboxamide
SMILESC[C@@H]1CN(CCc2ccccc2)CC[C@@H]1N(C(=O)c1ccsc1)c1ccccn1
InChIInChI=1S/C24H27N3OS/c1-19-17-26(14-10-20-7-3-2-4-8-20)15-11-22(19)27(23-9-5-6-13-25-23)24(28)21-12-16-29-18-21/h2-9,12-13,16,18-19,22H,10-11,14-15,17H2,1H3/t19-,22+/m1/s1
InChIKeyVBIGNVPUOIUHNU-KNQAVFIVSA-N
MW405.57 g/mol
LogP4.74
Rot. Bonds6

About N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylthiophene-3-carboxamide

N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylthiophene-3-carboxamide (PubChem CID 70373665) has the molecular formula C24H27N3OS and a molecular weight of 405.57 g/mol. Its IUPAC name is N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylthiophene-3-carboxamide
PubChem CID70373665
Molecular FormulaC24H27N3OS
Molecular Weight405.57 g/mol
Exact Mass405.19
IUPAC NameN-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylthiophene-3-carboxamide
SMILESC[C@@H]1CN(CCc2ccccc2)CC[C@@H]1N(C(=O)c1ccsc1)c1ccccn1
InChIInChI=1S/C24H27N3OS/c1-19-17-26(14-10-20-7-3-2-4-8-20)15-11-22(19)27(23-9-5-6-13-25-23)24(28)21-12-16-29-18-21/h2-9,12-13,16,18-19,22H,10-11,14-15,17H2,1H3/t19-,22+/m1/s1
InChIKeyVBIGNVPUOIUHNU-KNQAVFIVSA-N
XLogP4.74
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.57
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylthiophene-3-carboxamide with MolForge

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Related Compounds

N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyrazin-2-ylfuran-2-carboxamide
CID 54094091
N-[[(3R,4R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]methoxy]-N-pyridin-2-ylacetamide
CID 54489590
ethyl N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylcarbamate
CID 21496451
2-methoxy-N-[(3S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 18602333
N-(2-fluorophenyl)-2-methoxy-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 67904546
N-[(3S,4S)-1-(2-ethoxyethyl)-3-methylpiperidin-4-yl]-N-phenylbenzamide;hydrochloride
CID 24834370
N-[1-(2-phenylethyl)piperidin-4-yl]-N-pyrimidin-2-ylfuran-2-carboxamide
CID 10429616
N-(2-fluorophenyl)-2-methoxy-N-[3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;N-(2-fluorophenyl)-2-methoxy-N-[(3R)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]propanamide;oxalic acid
CID 173419203
N-methyl-N-[[(3R)-1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-3-yl]methyl]thiophene-3-carboxamide
CID 26335690
(E)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylprop-2-enamide
CID 45187894
1-(2-phenylethyl)piperidine-3,4-dicarboxylic acid
CID 115918716
N-(3-acetamidophenyl)-N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]furan-2-carboxamide;oxalic acid
CID 11620778

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylthiophene-3-carboxamide?
The IUPAC name of N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylthiophene-3-carboxamide (CID 70373665) is N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylthiophene-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylthiophene-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylthiophene-3-carboxamide is C[C@@H]1CN(CCc2ccccc2)CC[C@@H]1N(C(=O)c1ccsc1)c1ccccn1.
What is the InChIKey of N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylthiophene-3-carboxamide?
The InChIKey is VBIGNVPUOIUHNU-KNQAVFIVSA-N. The full InChI is InChI=1S/C24H27N3OS/c1-19-17-26(14-10-20-7-3-2-4-8-20)15-11-22(19)27(23-9-5-6-13-25-23)24(28)21-12-16-29-18-21/h2-9,12-13,16,18-19,22H,10-11,14-15,17H2,1H3/t19-,22+/m1/s1.
What are the key properties of N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylthiophene-3-carboxamide?
N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylthiophene-3-carboxamide has a molecular weight of 405.57 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-pyridin-2-ylthiophene-3-carboxamide is sourced from PubChem (CID 70373665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).