N-[2-[1-(2,2-difluoro-2-pyridin-2-ylacetyl)piperidin-4-yl]-1-phenylethyl]-5-methylthiophene-2-carboxamide

C26H27F2N3O2S — CID 137373168

IUPACN-[2-[1-(2,2-difluoro-2-pyridin-2-ylacetyl)piperidin-4-yl]-1-phenylethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC(CC2CCN(C(=O)C(F)(F)c3ccccn3)CC2)c2ccccc2)s1
InChIInChI=1S/C26H27F2N3O2S/c1-18-10-11-22(34-18)24(32)30-21(20-7-3-2-4-8-20)17-19-12-15-31(16-13-19)25(33)26(27,28)23-9-5-6-14-29-23/h2-11,14,19,21H,12-13,15-17H2,1H3,(H,30,32)
InChIKeyQAMRJWGRUYWCBQ-UHFFFAOYSA-N
MW483.58 g/mol
LogP5.34
Rot. Bonds7

About N-[2-[1-(2,2-difluoro-2-pyridin-2-ylacetyl)piperidin-4-yl]-1-phenylethyl]-5-methylthiophene-2-carboxamide

N-[2-[1-(2,2-difluoro-2-pyridin-2-ylacetyl)piperidin-4-yl]-1-phenylethyl]-5-methylthiophene-2-carboxamide (PubChem CID 137373168) has the molecular formula C26H27F2N3O2S and a molecular weight of 483.58 g/mol. Its IUPAC name is N-[2-[1-(2,2-difluoro-2-pyridin-2-ylacetyl)piperidin-4-yl]-1-phenylethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(2,2-difluoro-2-pyridin-2-ylacetyl)piperidin-4-yl]-1-phenylethyl]-5-methylthiophene-2-carboxamide
PubChem CID137373168
Molecular FormulaC26H27F2N3O2S
Molecular Weight483.58 g/mol
Exact Mass483.18
IUPAC NameN-[2-[1-(2,2-difluoro-2-pyridin-2-ylacetyl)piperidin-4-yl]-1-phenylethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)NC(CC2CCN(C(=O)C(F)(F)c3ccccn3)CC2)c2ccccc2)s1
InChIInChI=1S/C26H27F2N3O2S/c1-18-10-11-22(34-18)24(32)30-21(20-7-3-2-4-8-20)17-19-12-15-31(16-13-19)25(33)26(27,28)23-9-5-6-14-29-23/h2-11,14,19,21H,12-13,15-17H2,1H3,(H,30,32)
InChIKeyQAMRJWGRUYWCBQ-UHFFFAOYSA-N
XLogP5.34
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.58
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-cyclopropyl-2-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid
CID 137373078
N-(2-hydroxy-1-phenylethyl)-5-methylthiophene-2-carboxamide
CID 63184449
tert-butyl 4-[2-phenyl-2-(thiophene-2-carbonylamino)ethyl]piperidine-1-carboxylate
CID 137373194
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[(5-methylthiophene-2-carbonyl)amino]propanoic acid
CID 142509398
tert-butyl 4-[2-[(5-methylthiophene-3-carbonyl)amino]-2-phenylethyl]piperidine-1-carboxylate
CID 137373079
4-[2-[(5-chlorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylic acid
CID 137373249
4-[(2S)-2-[(5-chlorothiophene-2-carbonyl)amino]-2-(6-methoxy-3-pyridinyl)ethyl]piperidine-1-carboxylic acid
CID 137373245
(2-methyl-3-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate
CID 142509340
5-methyl-N-(1-morpholin-4-yl-1-phenylpropan-2-yl)thiophene-2-carboxamide
CID 3963324
5-methyl-N-[(1S,2S)-1-morpholin-4-yl-1-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2510668
2,2-dimethylpropyl 4-[2-[(4-chlorobenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate
CID 137373327
tert-butyl 4-[2-[(3,4-dichlorobenzoyl)amino]-2-phenylethyl]piperidine-1-carboxylate
CID 137373331

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2,2-difluoro-2-pyridin-2-ylacetyl)piperidin-4-yl]-1-phenylethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[1-(2,2-difluoro-2-pyridin-2-ylacetyl)piperidin-4-yl]-1-phenylethyl]-5-methylthiophene-2-carboxamide (CID 137373168) is N-[2-[1-(2,2-difluoro-2-pyridin-2-ylacetyl)piperidin-4-yl]-1-phenylethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[1-(2,2-difluoro-2-pyridin-2-ylacetyl)piperidin-4-yl]-1-phenylethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[1-(2,2-difluoro-2-pyridin-2-ylacetyl)piperidin-4-yl]-1-phenylethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)NC(CC2CCN(C(=O)C(F)(F)c3ccccn3)CC2)c2ccccc2)s1.
What is the InChIKey of N-[2-[1-(2,2-difluoro-2-pyridin-2-ylacetyl)piperidin-4-yl]-1-phenylethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is QAMRJWGRUYWCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O2S/c1-18-10-11-22(34-18)24(32)30-21(20-7-3-2-4-8-20)17-19-12-15-31(16-13-19)25(33)26(27,28)23-9-5-6-14-29-23/h2-11,14,19,21H,12-13,15-17H2,1H3,(H,30,32).
What are the key properties of N-[2-[1-(2,2-difluoro-2-pyridin-2-ylacetyl)piperidin-4-yl]-1-phenylethyl]-5-methylthiophene-2-carboxamide?
N-[2-[1-(2,2-difluoro-2-pyridin-2-ylacetyl)piperidin-4-yl]-1-phenylethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 483.58 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2,2-difluoro-2-pyridin-2-ylacetyl)piperidin-4-yl]-1-phenylethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 137373168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).