N-methyl-1-(oxolane-2-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

C24H29N3O3 — CID 110231777

IUPACN-methyl-1-(oxolane-2-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)C2CCCO2)C1
InChIInChI=1S/C24H29N3O3/c1-25-23(29)24(11-6-13-27(17-24)22(28)21-10-5-14-30-21)15-18-7-2-3-9-20(18)19-8-4-12-26-16-19/h2-4,7-9,12,16,21H,5-6,10-11,13-15,17H2,1H3,(H,25,29)
InChIKeyQIHQLLCFKHHPQI-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.82
Rot. Bonds5

About N-methyl-1-(oxolane-2-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide

N-methyl-1-(oxolane-2-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 110231777) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-methyl-1-(oxolane-2-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(oxolane-2-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
PubChem CID110231777
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-methyl-1-(oxolane-2-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
SMILESCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)C2CCCO2)C1
InChIInChI=1S/C24H29N3O3/c1-25-23(29)24(11-6-13-27(17-24)22(28)21-10-5-14-30-21)15-18-7-2-3-9-20(18)19-8-4-12-26-16-19/h2-4,7-9,12,16,21H,5-6,10-11,13-15,17H2,1H3,(H,25,29)
InChIKeyQIHQLLCFKHHPQI-UHFFFAOYSA-N
XLogP2.82
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-methyl-1-[(2S)-oxolane-2-carbonyl]-3-[(2-pyridin-3-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609697
(3S)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609338
(3R)-N-methyl-1-(2-phenylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609431
(3S)-N-methyl-1-(2-pyridin-3-ylacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609452
(3R)-1-[(2R)-oxane-2-carbonyl]-N-propan-2-yl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92579606
(3S)-N-methyl-1-[2-(4-methylphenyl)acetyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92557629
(3S)-N-methyl-1-(2-phenoxyacetyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609418
1-(cyclopropanecarbonyl)-N-propan-2-yl-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 110231879
(3S)-1-(cyclobutanecarbonyl)-N-methyl-3-[(2-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92609342
(3R)-N-methyl-1-[(2S)-oxolane-2-carbonyl]-3-[(2-thiophen-2-ylphenyl)methyl]pyrrolidine-3-carboxamide
CID 92609702
1-[(2S)-oxane-2-carbonyl]-N-propyl-4-[(2-pyridin-3-ylphenyl)methyl]piperidine-4-carboxamide
CID 125010180
(3S)-N-ethyl-1-[(1R,2R)-2-methylcyclopropanecarbonyl]-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide
CID 124910036

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(oxolane-2-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-methyl-1-(oxolane-2-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide (CID 110231777) is N-methyl-1-(oxolane-2-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(oxolane-2-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(oxolane-2-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is CNC(=O)C1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)C2CCCO2)C1.
What is the InChIKey of N-methyl-1-(oxolane-2-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is QIHQLLCFKHHPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-25-23(29)24(11-6-13-27(17-24)22(28)21-10-5-14-30-21)15-18-7-2-3-9-20(18)19-8-4-12-26-16-19/h2-4,7-9,12,16,21H,5-6,10-11,13-15,17H2,1H3,(H,25,29).
What are the key properties of N-methyl-1-(oxolane-2-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide?
N-methyl-1-(oxolane-2-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 407.51 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(oxolane-2-carbonyl)-3-[(2-pyridin-3-ylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 110231777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).