(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(pyridine-2-carbonyl)piperidine-1-carboxamide

C20H21N3O3 — CID 125157620

IUPAC(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(pyridine-2-carbonyl)piperidine-1-carboxamide
SMILESO=C(c1ccccn1)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)COC3)C1
InChIInChI=1S/C20H21N3O3/c24-19(18-5-1-2-8-21-18)14-4-3-9-23(11-14)20(25)22-17-7-6-15-12-26-13-16(15)10-17/h1-2,5-8,10,14H,3-4,9,11-13H2,(H,22,25)/t14-/m1/s1
InChIKeyPKNKHSXWRILFHE-CQSZACIVSA-N
MW351.41 g/mol
LogP3.24
Rot. Bonds3

About (3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(pyridine-2-carbonyl)piperidine-1-carboxamide

(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(pyridine-2-carbonyl)piperidine-1-carboxamide (PubChem CID 125157620) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is (3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(pyridine-2-carbonyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(pyridine-2-carbonyl)piperidine-1-carboxamide
PubChem CID125157620
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(pyridine-2-carbonyl)piperidine-1-carboxamide
SMILESO=C(c1ccccn1)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)COC3)C1
InChIInChI=1S/C20H21N3O3/c24-19(18-5-1-2-8-21-18)14-4-3-9-23(11-14)20(25)22-17-7-6-15-12-26-13-16(15)10-17/h1-2,5-8,10,14H,3-4,9,11-13H2,(H,22,25)/t14-/m1/s1
InChIKeyPKNKHSXWRILFHE-CQSZACIVSA-N
XLogP3.24
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(pyridine-2-carbonyl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-pyrimidin-4-ylpiperidine-1-carboxamide
CID 97438463
N-(3-methylphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]piperidine-1-carboxamide
CID 55837238
(3S)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97349988
1-N-phenyl-3-N-(2-pyridin-2-ylethyl)piperidine-1,3-dicarboxamide
CID 51250780
2-(3-methyl-1,2-oxazol-5-yl)-1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]ethanone
CID 124753059
3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110394499
(3R)-N-phenyl-3-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 8868811
[(3R)-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 97121545
(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 124516055
(3S)-3-N-cyclopentyl-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,3-dicarboxamide
CID 95116250
(3S)-3-N-methyl-1-N-[4-(2-pyridin-2-ylethyl)phenyl]piperidine-1,3-dicarboxamide
CID 126439599
3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 77088791

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(pyridine-2-carbonyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(pyridine-2-carbonyl)piperidine-1-carboxamide (CID 125157620) is (3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(pyridine-2-carbonyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(pyridine-2-carbonyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(pyridine-2-carbonyl)piperidine-1-carboxamide is O=C(c1ccccn1)[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)COC3)C1.
What is the InChIKey of (3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(pyridine-2-carbonyl)piperidine-1-carboxamide?
The InChIKey is PKNKHSXWRILFHE-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N3O3/c24-19(18-5-1-2-8-21-18)14-4-3-9-23(11-14)20(25)22-17-7-6-15-12-26-13-16(15)10-17/h1-2,5-8,10,14H,3-4,9,11-13H2,(H,22,25)/t14-/m1/s1.
What are the key properties of (3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(pyridine-2-carbonyl)piperidine-1-carboxamide?
(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(pyridine-2-carbonyl)piperidine-1-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(pyridine-2-carbonyl)piperidine-1-carboxamide is sourced from PubChem (CID 125157620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).