(2R)-N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide

C30H35N3O3 — CID 42485472

IUPAC(2R)-N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
SMILESCOc1cc(CN(Cc2ccncc2)C(=O)[C@H]2CCCCN2C)ccc1OC1Cc2ccccc2C1
InChIInChI=1S/C30H35N3O3/c1-32-16-6-5-9-27(32)30(34)33(20-22-12-14-31-15-13-22)21-23-10-11-28(29(17-23)35-2)36-26-18-24-7-3-4-8-25(24)19-26/h3-4,7-8,10-15,17,26-27H,5-6,9,16,18-21H2,1-2H3/t27-/m1/s1
InChIKeyWBRFOKOTDJENMR-HHHXNRCGSA-N
MW485.63 g/mol
LogP4.65
Rot. Bonds8

About (2R)-N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide

(2R)-N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide (PubChem CID 42485472) has the molecular formula C30H35N3O3 and a molecular weight of 485.63 g/mol. Its IUPAC name is (2R)-N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
PubChem CID42485472
Molecular FormulaC30H35N3O3
Molecular Weight485.63 g/mol
Exact Mass485.27
IUPAC Name(2R)-N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
SMILESCOc1cc(CN(Cc2ccncc2)C(=O)[C@H]2CCCCN2C)ccc1OC1Cc2ccccc2C1
InChIInChI=1S/C30H35N3O3/c1-32-16-6-5-9-27(32)30(34)33(20-22-12-14-31-15-13-22)21-23-10-11-28(29(17-23)35-2)36-26-18-24-7-3-4-8-25(24)19-26/h3-4,7-8,10-15,17,26-27H,5-6,9,16,18-21H2,1-2H3/t27-/m1/s1
InChIKeyWBRFOKOTDJENMR-HHHXNRCGSA-N
XLogP4.65
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide with MolForge

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Related Compounds

1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)azepane-2-carboxamide
CID 131922742
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-2-pyridin-2-ylsulfanylacetamide
CID 42406053
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-2-methoxy-N-(oxolan-2-ylmethyl)benzamide
CID 45199784
(E)-N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]-3-thiophen-2-ylprop-2-enamide
CID 26353993
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 45235774
N-[(3-methoxyphenyl)methyl]-1-methyl-N-prop-2-enylazepane-2-carboxamide
CID 46996249
N-[(3,4-dimethoxyphenyl)methyl]-2-fluoro-N-(pyridin-4-ylmethyl)benzamide
CID 42381836
1-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 146086260
(2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide
CID 97205508
N-[[3-methoxy-4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]-N-(pyridin-3-ylmethyl)acetamide
CID 42481284
N-[[3-methoxy-4-(oxolan-3-yloxy)phenyl]methyl]-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazole-3-carboxamide
CID 45225911
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 43066238

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of (2R)-N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide (CID 42485472) is (2R)-N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide is COc1cc(CN(Cc2ccncc2)C(=O)[C@H]2CCCCN2C)ccc1OC1Cc2ccccc2C1.
What is the InChIKey of (2R)-N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The InChIKey is WBRFOKOTDJENMR-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H35N3O3/c1-32-16-6-5-9-27(32)30(34)33(20-22-12-14-31-15-13-22)21-23-10-11-28(29(17-23)35-2)36-26-18-24-7-3-4-8-25(24)19-26/h3-4,7-8,10-15,17,26-27H,5-6,9,16,18-21H2,1-2H3/t27-/m1/s1.
What are the key properties of (2R)-N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
(2R)-N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide has a molecular weight of 485.63 g/mol, XLogP of 4.65, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-1-methyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 42485472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).