1-(3,5-dimethoxybenzoyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide

C27H34N2O6 — CID 46478560

IUPAC1-(3,5-dimethoxybenzoyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)NCc3ccc(OCC4CCCO4)cc3)CC2)c1
InChIInChI=1S/C27H34N2O6/c1-32-24-14-21(15-25(16-24)33-2)27(31)29-11-9-20(10-12-29)26(30)28-17-19-5-7-22(8-6-19)35-18-23-4-3-13-34-23/h5-8,14-16,20,23H,3-4,9-13,17-18H2,1-2H3,(H,28,30)
InChIKeyOUKGODGAERCUHY-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.43
Rot. Bonds9

About 1-(3,5-dimethoxybenzoyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide

1-(3,5-dimethoxybenzoyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 46478560) has the molecular formula C27H34N2O6 and a molecular weight of 482.58 g/mol. Its IUPAC name is 1-(3,5-dimethoxybenzoyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethoxybenzoyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide
PubChem CID46478560
Molecular FormulaC27H34N2O6
Molecular Weight482.58 g/mol
Exact Mass482.24
IUPAC Name1-(3,5-dimethoxybenzoyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESCOc1cc(OC)cc(C(=O)N2CCC(C(=O)NCc3ccc(OCC4CCCO4)cc3)CC2)c1
InChIInChI=1S/C27H34N2O6/c1-32-24-14-21(15-25(16-24)33-2)27(31)29-11-9-20(10-12-29)26(30)28-17-19-5-7-22(8-6-19)35-18-23-4-3-13-34-23/h5-8,14-16,20,23H,3-4,9-13,17-18H2,1-2H3,(H,28,30)
InChIKeyOUKGODGAERCUHY-UHFFFAOYSA-N
XLogP3.43
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 41412055
1-(3,5-dimethoxybenzoyl)-N-[[4-[(dimethylamino)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 55719260
N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 134023779
1-(3-methoxybenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749040
1-(3-methoxybenzoyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 124749039
3,4,5-trimethoxy-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 46469688
N-[[(2R)-oxolan-2-yl]methyl]-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126025662
N-[(4-chlorophenyl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004279
1-(3,5-dimethoxybenzoyl)-N-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 46472906
5-methyl-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 94025887
1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666
1-(3,5-dimethoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46471462

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dimethoxybenzoyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide (CID 46478560) is 1-(3,5-dimethoxybenzoyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dimethoxybenzoyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dimethoxybenzoyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide is COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCc3ccc(OCC4CCCO4)cc3)CC2)c1.
What is the InChIKey of 1-(3,5-dimethoxybenzoyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is OUKGODGAERCUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O6/c1-32-24-14-21(15-25(16-24)33-2)27(31)29-11-9-20(10-12-29)26(30)28-17-19-5-7-22(8-6-19)35-18-23-4-3-13-34-23/h5-8,14-16,20,23H,3-4,9-13,17-18H2,1-2H3,(H,28,30).
What are the key properties of 1-(3,5-dimethoxybenzoyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide?
1-(3,5-dimethoxybenzoyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 3.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxybenzoyl)-N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 46478560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).