N-[(1R)-1-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide

C29H31N3O3 — CID 42500962

IUPACN-[(1R)-1-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccccn1)[C@H](Cc1ccccc1)C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1
InChIInChI=1S/C29H31N3O3/c1-31(28(33)24-12-7-8-16-30-24)25(19-21-9-3-2-4-10-21)22-14-17-32(18-15-22)29(34)27-20-23-11-5-6-13-26(23)35-27/h2-13,16,22,25,27H,14-15,17-20H2,1H3/t25-,27-/m1/s1
InChIKeyJXKMUQLNZFIGQV-XNMGPUDCSA-N
MW469.59 g/mol
LogP4.01
Rot. Bonds6

About N-[(1R)-1-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide

N-[(1R)-1-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide (PubChem CID 42500962) has the molecular formula C29H31N3O3 and a molecular weight of 469.59 g/mol. Its IUPAC name is N-[(1R)-1-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
PubChem CID42500962
Molecular FormulaC29H31N3O3
Molecular Weight469.59 g/mol
Exact Mass469.24
IUPAC NameN-[(1R)-1-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
SMILESCN(C(=O)c1ccccn1)[C@H](Cc1ccccc1)C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1
InChIInChI=1S/C29H31N3O3/c1-31(28(33)24-12-7-8-16-30-24)25(19-21-9-3-2-4-10-21)22-14-17-32(18-15-22)29(34)27-20-23-11-5-6-13-26(23)35-27/h2-13,16,22,25,27H,14-15,17-20H2,1H3/t25-,27-/m1/s1
InChIKeyJXKMUQLNZFIGQV-XNMGPUDCSA-N
XLogP4.01
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.59
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(1R)-1-[1-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 26332908
N-methyl-N-[(1R)-1-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 42406587
N-methyl-N-[1-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 126465588
N-[(1S)-1-[1-[(2R)-2-methoxy-2-phenylacetyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 26354113
N-[1-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide
CID 45222028
N-methyl-N-[2-phenyl-1-[1-(2-thiophen-3-ylacetyl)piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 45250903
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-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 42318970
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-[(1R)-1-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[(1R)-1-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide (CID 42500962) is N-[(1R)-1-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide is CN(C(=O)c1ccccn1)[C@H](Cc1ccccc1)C1CCN(C(=O)[C@H]2Cc3ccccc3O2)CC1.
What is the InChIKey of N-[(1R)-1-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide?
The InChIKey is JXKMUQLNZFIGQV-XNMGPUDCSA-N. The full InChI is InChI=1S/C29H31N3O3/c1-31(28(33)24-12-7-8-16-30-24)25(19-21-9-3-2-4-10-21)22-14-17-32(18-15-22)29(34)27-20-23-11-5-6-13-26(23)35-27/h2-13,16,22,25,27H,14-15,17-20H2,1H3/t25-,27-/m1/s1.
What are the key properties of N-[(1R)-1-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide?
N-[(1R)-1-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide has a molecular weight of 469.59 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]piperidin-4-yl]-2-phenylethyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 42500962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).