1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide

C22H33N3O5 — CID 5140911

IUPAC1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide
SMILESCOc1cc(CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H33N3O5/c1-28-18-12-15(13-19(29-2)20(18)30-3)14-24-8-4-17(5-9-24)22(27)25-10-6-16(7-11-25)21(23)26/h12-13,16-17H,4-11,14H2,1-3H3,(H2,23,26)
InChIKeyJDNDVHCFMFVXFZ-UHFFFAOYSA-N
MW419.52 g/mol
LogP1.65
Rot. Bonds7

About 1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide

1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide (PubChem CID 5140911) has the molecular formula C22H33N3O5 and a molecular weight of 419.52 g/mol. Its IUPAC name is 1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide
PubChem CID5140911
Molecular FormulaC22H33N3O5
Molecular Weight419.52 g/mol
Exact Mass419.24
IUPAC Name1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide
SMILESCOc1cc(CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H33N3O5/c1-28-18-12-15(13-19(29-2)20(18)30-3)14-24-8-4-17(5-9-24)22(27)25-10-6-16(7-11-25)21(23)26/h12-13,16-17H,4-11,14H2,1-3H3,(H2,23,26)
InChIKeyJDNDVHCFMFVXFZ-UHFFFAOYSA-N
XLogP1.65
TPSA94.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

oxalic acid;piperidin-1-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]methanone
CID 2903448
(3-aminocyclohexyl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 119896247
(4-ethylpiperazin-1-yl)-[1-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperidin-4-yl]methanone
CID 4567358
oxalic acid;1-[(3,4,5-trimethoxyphenyl)methyl]azepane
CID 23724185
pyrrolidin-1-yl-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-1-ium-4-yl]methanone
CID 6981341
[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3868449
oxalic acid;1-[(2,3,4-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 163326830
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 46454579
(4-benzylpiperazin-1-yl)-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 1096570
cyclopropyl-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110399346
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;oxalic acid
CID 23724334
1-[[3-[(2R)-2-hydroxy-3-pyrrolidin-1-ylpropoxy]-4-methoxyphenyl]methyl]piperidine-4-carboxamide
CID 97278013

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide (CID 5140911) is 1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide is COc1cc(CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc(OC)c1OC.
What is the InChIKey of 1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is JDNDVHCFMFVXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O5/c1-28-18-12-15(13-19(29-2)20(18)30-3)14-24-8-4-17(5-9-24)22(27)25-10-6-16(7-11-25)21(23)26/h12-13,16-17H,4-11,14H2,1-3H3,(H2,23,26).
What are the key properties of 1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide?
1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 419.52 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 5140911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).