N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide

C22H27N3O3 — CID 125443225

IUPACN-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
SMILESC[C@@H]1Cc2cc(CNC(=O)N3CCC(OCc4cccnc4)CC3)ccc2O1
InChIInChI=1S/C22H27N3O3/c1-16-11-19-12-17(4-5-21(19)28-16)14-24-22(26)25-9-6-20(7-10-25)27-15-18-3-2-8-23-13-18/h2-5,8,12-13,16,20H,6-7,9-11,14-15H2,1H3,(H,24,26)/t16-/m1/s1
InChIKeyHZFJHJIFOWVSEM-MRXNPFEDSA-N
MW381.48 g/mol
LogP3.30
Rot. Bonds5

About N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide

N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide (PubChem CID 125443225) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
PubChem CID125443225
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
SMILESC[C@@H]1Cc2cc(CNC(=O)N3CCC(OCc4cccnc4)CC3)ccc2O1
InChIInChI=1S/C22H27N3O3/c1-16-11-19-12-17(4-5-21(19)28-16)14-24-22(26)25-9-6-20(7-10-25)27-15-18-3-2-8-23-13-18/h2-5,8,12-13,16,20H,6-7,9-11,14-15H2,1H3,(H,24,26)/t16-/m1/s1
InChIKeyHZFJHJIFOWVSEM-MRXNPFEDSA-N
XLogP3.30
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide with MolForge

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Related Compounds

N-[(2S)-2-(dimethylamino)butyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
CID 125447753
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide
CID 72859374
4-(pyridin-3-ylmethoxy)-N-[(2S)-1-thiophen-3-ylpropan-2-yl]piperidine-1-carboxamide
CID 126426003
N-benzyl-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566130
3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70773170
(3-propan-2-yl-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70738411
(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 91777381
(2R)-2-(1,3-benzodioxol-5-yl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid
CID 97211190
(2S)-2-(dimethylamino)-2-(2-methylphenyl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]ethanone
CID 97200726
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
2-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methylamino]-N-pyrazin-2-ylacetamide
CID 95131389
4-butyl-N-(pyridin-3-ylmethyl)piperidine-1-carboxamide
CID 23381452

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide?
The IUPAC name of N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide (CID 125443225) is N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide.
What is the SMILES notation for N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide?
The canonical SMILES for N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide is C[C@@H]1Cc2cc(CNC(=O)N3CCC(OCc4cccnc4)CC3)ccc2O1.
What is the InChIKey of N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide?
The InChIKey is HZFJHJIFOWVSEM-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16-11-19-12-17(4-5-21(19)28-16)14-24-22(26)25-9-6-20(7-10-25)27-15-18-3-2-8-23-13-18/h2-5,8,12-13,16,20H,6-7,9-11,14-15H2,1H3,(H,24,26)/t16-/m1/s1.
What are the key properties of N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide?
N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]methyl]-4-(pyridin-3-ylmethoxy)piperidine-1-carboxamide is sourced from PubChem (CID 125443225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).