N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-1-(oxetan-3-yl)-6-oxo-5-propylpiperidine-3-carboxamide

C24H32ClN3O3 — CID 155153073

IUPACN-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-1-(oxetan-3-yl)-6-oxo-5-propylpiperidine-3-carboxamide
SMILESCCCC1CC(C(=O)NC2CCC(Cc3cccc(Cl)c3)C=N2)CN(C2COC2)C1=O
InChIInChI=1S/C24H32ClN3O3/c1-2-4-18-11-19(13-28(24(18)30)21-14-31-15-21)23(29)27-22-8-7-17(12-26-22)9-16-5-3-6-20(25)10-16/h3,5-6,10,12,17-19,21-22H,2,4,7-9,11,13-15H2,1H3,(H,27,29)
InChIKeyOYWWZENPSJAZAS-UHFFFAOYSA-N
MW445.99 g/mol
LogP3.47
Rot. Bonds7

About N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-1-(oxetan-3-yl)-6-oxo-5-propylpiperidine-3-carboxamide

N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-1-(oxetan-3-yl)-6-oxo-5-propylpiperidine-3-carboxamide (PubChem CID 155153073) has the molecular formula C24H32ClN3O3 and a molecular weight of 445.99 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-1-(oxetan-3-yl)-6-oxo-5-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-1-(oxetan-3-yl)-6-oxo-5-propylpiperidine-3-carboxamide
PubChem CID155153073
Molecular FormulaC24H32ClN3O3
Molecular Weight445.99 g/mol
Exact Mass445.21
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-1-(oxetan-3-yl)-6-oxo-5-propylpiperidine-3-carboxamide
SMILESCCCC1CC(C(=O)NC2CCC(Cc3cccc(Cl)c3)C=N2)CN(C2COC2)C1=O
InChIInChI=1S/C24H32ClN3O3/c1-2-4-18-11-19(13-28(24(18)30)21-14-31-15-21)23(29)27-22-8-7-17(12-26-22)9-16-5-3-6-20(25)10-16/h3,5-6,10,12,17-19,21-22H,2,4,7-9,11,13-15H2,1H3,(H,27,29)
InChIKeyOYWWZENPSJAZAS-UHFFFAOYSA-N
XLogP3.47
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.99
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-1-(oxetan-3-yl)-6-oxo-5-propylpiperidine-3-carboxamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-1-(oxetan-3-yl)-6-oxo-5-propylpiperidine-3-carboxamide (CID 155153073) is N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-1-(oxetan-3-yl)-6-oxo-5-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-1-(oxetan-3-yl)-6-oxo-5-propylpiperidine-3-carboxamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-1-(oxetan-3-yl)-6-oxo-5-propylpiperidine-3-carboxamide is CCCC1CC(C(=O)NC2CCC(Cc3cccc(Cl)c3)C=N2)CN(C2COC2)C1=O.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-1-(oxetan-3-yl)-6-oxo-5-propylpiperidine-3-carboxamide?
The InChIKey is OYWWZENPSJAZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O3/c1-2-4-18-11-19(13-28(24(18)30)21-14-31-15-21)23(29)27-22-8-7-17(12-26-22)9-16-5-3-6-20(25)10-16/h3,5-6,10,12,17-19,21-22H,2,4,7-9,11,13-15H2,1H3,(H,27,29).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-1-(oxetan-3-yl)-6-oxo-5-propylpiperidine-3-carboxamide?
N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-1-(oxetan-3-yl)-6-oxo-5-propylpiperidine-3-carboxamide has a molecular weight of 445.99 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-2,3,4,5-tetrahydropyridin-2-yl]-1-(oxetan-3-yl)-6-oxo-5-propylpiperidine-3-carboxamide is sourced from PubChem (CID 155153073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).