N-[(1S)-1-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide

C29H33N3O3 — CID 26354113

IUPACN-[(1S)-1-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
SMILESCO[C@@H](C(=O)N1CCC([C@H](Cc2ccccc2)N(C)C(=O)c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C29H33N3O3/c1-31(28(33)25-15-9-10-18-30-25)26(21-22-11-5-3-6-12-22)23-16-19-32(20-17-23)29(34)27(35-2)24-13-7-4-8-14-24/h3-15,18,23,26-27H,16-17,19-21H2,1-2H3/t26-,27+/m0/s1
InChIKeyWBLGAWZAQBHPJR-RRPNLBNLSA-N
MW471.60 g/mol
LogP4.39
Rot. Bonds8

About N-[(1S)-1-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide

N-[(1S)-1-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide (PubChem CID 26354113) has the molecular formula C29H33N3O3 and a molecular weight of 471.60 g/mol. Its IUPAC name is N-[(1S)-1-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
PubChem CID26354113
Molecular FormulaC29H33N3O3
Molecular Weight471.60 g/mol
Exact Mass471.25
IUPAC NameN-[(1S)-1-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
SMILESCO[C@@H](C(=O)N1CCC([C@H](Cc2ccccc2)N(C)C(=O)c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C29H33N3O3/c1-31(28(33)25-15-9-10-18-30-25)26(21-22-11-5-3-6-12-22)23-16-19-32(20-17-23)29(34)27(35-2)24-13-7-4-8-14-24/h3-15,18,23,26-27H,16-17,19-21H2,1-2H3/t26-,27+/m0/s1
InChIKeyWBLGAWZAQBHPJR-RRPNLBNLSA-N
XLogP4.39
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.60
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1S)-1-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

N-methyl-N-[(1R)-1-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 42406587
N-[(1R)-1-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 42500962
N-methyl-N-[2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 45250903
N-methyl-N-[1-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 126465588
N-[(1R)-1-[1-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 26332908
N-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 45222028
N-[(1S)-1-[1-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 26332911
N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 42318970
N-methyl-N-[(1R)-1-[1-[2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 26345512
N-methyl-N-[1-[1-[2-(3-oxo-1,2-dihydroisoindol-1-yl)acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 45210365
N-methyl-N-[(1S)-2-phenyl-1-[1-(3-pyrazol-1-ylbenzoyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 42481400
N-cyclopropyl-N-[1-[1-(2-methylsulfanylacetyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 45249087

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[(1S)-1-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide (CID 26354113) is N-[(1S)-1-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide is CO[C@@H](C(=O)N1CCC([C@H](Cc2ccccc2)N(C)C(=O)c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is WBLGAWZAQBHPJR-RRPNLBNLSA-N. The full InChI is InChI=1S/C29H33N3O3/c1-31(28(33)25-15-9-10-18-30-25)26(21-22-11-5-3-6-12-22)23-16-19-32(20-17-23)29(34)27(35-2)24-13-7-4-8-14-24/h3-15,18,23,26-27H,16-17,19-21H2,1-2H3/t26-,27+/m0/s1.
What are the key properties of N-[(1S)-1-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide?
N-[(1S)-1-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 471.60 g/mol, XLogP of 4.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 26354113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).