1-[1-(3,4,5-triethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide

C22H33N3O5 — CID 121154021

IUPAC1-[1-(3,4,5-triethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide
SMILESCCOc1cc(C(=O)N2CC(N3CCC(C(N)=O)CC3)C2)cc(OCC)c1OCC
InChIInChI=1S/C22H33N3O5/c1-4-28-18-11-16(12-19(29-5-2)20(18)30-6-3)22(27)25-13-17(14-25)24-9-7-15(8-10-24)21(23)26/h11-12,15,17H,4-10,13-14H2,1-3H3,(H2,23,26)
InChIKeyMXIXVBMUPBXZAY-UHFFFAOYSA-N
MW419.52 g/mol
LogP1.90
Rot. Bonds9

About 1-[1-(3,4,5-triethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide

1-[1-(3,4,5-triethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121154021) has the molecular formula C22H33N3O5 and a molecular weight of 419.52 g/mol. Its IUPAC name is 1-[1-(3,4,5-triethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3,4,5-triethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide
PubChem CID121154021
Molecular FormulaC22H33N3O5
Molecular Weight419.52 g/mol
Exact Mass419.24
IUPAC Name1-[1-(3,4,5-triethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide
SMILESCCOc1cc(C(=O)N2CC(N3CCC(C(N)=O)CC3)C2)cc(OCC)c1OCC
InChIInChI=1S/C22H33N3O5/c1-4-28-18-11-16(12-19(29-5-2)20(18)30-6-3)22(27)25-13-17(14-25)24-9-7-15(8-10-24)21(23)26/h11-12,15,17H,4-10,13-14H2,1-3H3,(H2,23,26)
InChIKeyMXIXVBMUPBXZAY-UHFFFAOYSA-N
XLogP1.90
TPSA94.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.52
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3,4,5-trimethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153961
1-(3,4-diethoxybenzoyl)piperidine-4-carboxamide
CID 976244
cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone
CID 56510742
[3-(hydroxymethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 110294879
1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153785
(4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 4065244
cyclohexyl-[4-(3,4,5-triethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544633
[4-(methylaminomethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone;hydrochloride
CID 119543739
1-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]butan-1-one
CID 108567965
methyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate
CID 108564110
[2,5-dimethyl-4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 4079895
1-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153845

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4,5-triethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(3,4,5-triethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide (CID 121154021) is 1-[1-(3,4,5-triethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3,4,5-triethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3,4,5-triethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide is CCOc1cc(C(=O)N2CC(N3CCC(C(N)=O)CC3)C2)cc(OCC)c1OCC.
What is the InChIKey of 1-[1-(3,4,5-triethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is MXIXVBMUPBXZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O5/c1-4-28-18-11-16(12-19(29-5-2)20(18)30-6-3)22(27)25-13-17(14-25)24-9-7-15(8-10-24)21(23)26/h11-12,15,17H,4-10,13-14H2,1-3H3,(H2,23,26).
What are the key properties of 1-[1-(3,4,5-triethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide?
1-[1-(3,4,5-triethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 419.52 g/mol, XLogP of 1.90, 9 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-triethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121154021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).