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

C19H27N3O5 — CID 121153961

IUPAC1-[1-(3,4,5-trimethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide
SMILESCOc1cc(C(=O)N2CC(N3CCC(C(N)=O)CC3)C2)cc(OC)c1OC
InChIInChI=1S/C19H27N3O5/c1-25-15-8-13(9-16(26-2)17(15)27-3)19(24)22-10-14(11-22)21-6-4-12(5-7-21)18(20)23/h8-9,12,14H,4-7,10-11H2,1-3H3,(H2,20,23)
InChIKeyDKZCCXWQBJKDRM-UHFFFAOYSA-N
MW377.44 g/mol
LogP0.73
Rot. Bonds6

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

1-[1-(3,4,5-trimethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide (PubChem CID 121153961) has the molecular formula C19H27N3O5 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[1-(3,4,5-trimethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3,4,5-trimethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide
PubChem CID121153961
Molecular FormulaC19H27N3O5
Molecular Weight377.44 g/mol
Exact Mass377.20
IUPAC Name1-[1-(3,4,5-trimethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide
SMILESCOc1cc(C(=O)N2CC(N3CCC(C(N)=O)CC3)C2)cc(OC)c1OC
InChIInChI=1S/C19H27N3O5/c1-25-15-8-13(9-16(26-2)17(15)27-3)19(24)22-10-14(11-22)21-6-4-12(5-7-21)18(20)23/h8-9,12,14H,4-7,10-11H2,1-3H3,(H2,20,23)
InChIKeyDKZCCXWQBJKDRM-UHFFFAOYSA-N
XLogP0.73
TPSA94.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3,4,5-triethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121154021
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110708525
1-[1-[2-(2-methoxyphenoxy)acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153845
1-[1-(thiophene-3-carbonyl)azetidin-3-yl]piperidine-4-carboxamide
CID 121153785
(4-bromopiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 80656388
1-[1-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]azetidin-3-yl]piperidine-4-carboxamide
CID 171139181
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110725274
[3-(methylamino)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 81469626
1-(3,4-dimethoxybenzenecarbothioyl)piperidine-4-carboxamide
CID 963964
(3,5-dimethylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone;hydrochloride
CID 119564338
cyclopropyl-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797012
N-benzyl-1-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
CID 42693279

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4,5-trimethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(3,4,5-trimethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide (CID 121153961) is 1-[1-(3,4,5-trimethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3,4,5-trimethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3,4,5-trimethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide is COc1cc(C(=O)N2CC(N3CCC(C(N)=O)CC3)C2)cc(OC)c1OC.
What is the InChIKey of 1-[1-(3,4,5-trimethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide?
The InChIKey is DKZCCXWQBJKDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O5/c1-25-15-8-13(9-16(26-2)17(15)27-3)19(24)22-10-14(11-22)21-6-4-12(5-7-21)18(20)23/h8-9,12,14H,4-7,10-11H2,1-3H3,(H2,20,23).
What are the key properties of 1-[1-(3,4,5-trimethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide?
1-[1-(3,4,5-trimethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 0.73, 6 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-trimethoxybenzoyl)azetidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 121153961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).