N-(3-methyl-2-pyridinyl)-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]piperidine-4-carboxamide

C24H29N3O4 — CID 51960658

IUPACN-(3-methyl-2-pyridinyl)-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]piperidine-4-carboxamide
SMILESCc1cccnc1NC(=O)C1CCN(C(=O)c2ccccc2OC[C@H]2CCCO2)CC1
InChIInChI=1S/C24H29N3O4/c1-17-6-4-12-25-22(17)26-23(28)18-10-13-27(14-11-18)24(29)20-8-2-3-9-21(20)31-16-19-7-5-15-30-19/h2-4,6,8-9,12,18-19H,5,7,10-11,13-16H2,1H3,(H,25,26,28)/t19-/m1/s1
InChIKeyXTVFXXZAIRJFOG-LJQANCHMSA-N
MW423.51 g/mol
LogP3.44
Rot. Bonds6

About N-(3-methyl-2-pyridinyl)-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]piperidine-4-carboxamide

N-(3-methyl-2-pyridinyl)-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]piperidine-4-carboxamide (PubChem CID 51960658) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-(3-methyl-2-pyridinyl)-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-2-pyridinyl)-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]piperidine-4-carboxamide
PubChem CID51960658
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-(3-methyl-2-pyridinyl)-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]piperidine-4-carboxamide
SMILESCc1cccnc1NC(=O)C1CCN(C(=O)c2ccccc2OC[C@H]2CCCO2)CC1
InChIInChI=1S/C24H29N3O4/c1-17-6-4-12-25-22(17)26-23(28)18-10-13-27(14-11-18)24(29)20-8-2-3-9-21(20)31-16-19-7-5-15-30-19/h2-4,6,8-9,12,18-19H,5,7,10-11,13-16H2,1H3,(H,25,26,28)/t19-/m1/s1
InChIKeyXTVFXXZAIRJFOG-LJQANCHMSA-N
XLogP3.44
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-methyl-2-pyridinyl)-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]piperidine-4-carboxamide with MolForge

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Related Compounds

[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 51927276
[2-(oxolan-2-ylmethoxy)phenyl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 42937228
1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124610969
[(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124591399
(3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125148522
(3R)-3-methyl-1-[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125148523
3-methyl-1-[2-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119256061
N-butyl-2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 43048299
N-(2,6-dimethylphenyl)-1-(2-methoxybenzoyl)piperidine-4-carboxamide
CID 113006521
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
N-[[4-(morpholine-4-carbonyl)phenyl]methyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 25498534
2-[4-[2-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]-2-phenylacetonitrile
CID 112810509

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-2-pyridinyl)-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-methyl-2-pyridinyl)-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]piperidine-4-carboxamide (CID 51960658) is N-(3-methyl-2-pyridinyl)-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methyl-2-pyridinyl)-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-methyl-2-pyridinyl)-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]piperidine-4-carboxamide is Cc1cccnc1NC(=O)C1CCN(C(=O)c2ccccc2OC[C@H]2CCCO2)CC1.
What is the InChIKey of N-(3-methyl-2-pyridinyl)-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]piperidine-4-carboxamide?
The InChIKey is XTVFXXZAIRJFOG-LJQANCHMSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-17-6-4-12-25-22(17)26-23(28)18-10-13-27(14-11-18)24(29)20-8-2-3-9-21(20)31-16-19-7-5-15-30-19/h2-4,6,8-9,12,18-19H,5,7,10-11,13-16H2,1H3,(H,25,26,28)/t19-/m1/s1.
What are the key properties of N-(3-methyl-2-pyridinyl)-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]piperidine-4-carboxamide?
N-(3-methyl-2-pyridinyl)-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]piperidine-4-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-2-pyridinyl)-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 51960658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).