3,4,5-trimethoxy-N-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]benzamide

C24H28N4O5 — CID 55837077

IUPAC3,4,5-trimethoxy-N-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc(OC)c1OC
InChIInChI=1S/C24H28N4O5/c1-31-19-11-16(12-20(32-2)22(19)33-3)24(30)27-14-21(29)28-9-6-15(7-10-28)18-13-26-23-17(18)5-4-8-25-23/h4-5,8,11-13,15H,6-7,9-10,14H2,1-3H3,(H,25,26)(H,27,30)
InChIKeyUJMSAVWOYZBOAM-UHFFFAOYSA-N
MW452.51 g/mol
LogP2.72
Rot. Bonds7

About 3,4,5-trimethoxy-N-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]benzamide

3,4,5-trimethoxy-N-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]benzamide (PubChem CID 55837077) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]benzamide
PubChem CID55837077
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name3,4,5-trimethoxy-N-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc(OC)c1OC
InChIInChI=1S/C24H28N4O5/c1-31-19-11-16(12-20(32-2)22(19)33-3)24(30)27-14-21(29)28-9-6-15(7-10-28)18-13-26-23-17(18)5-4-8-25-23/h4-5,8,11-13,15H,6-7,9-10,14H2,1-3H3,(H,25,26)(H,27,30)
InChIKeyUJMSAVWOYZBOAM-UHFFFAOYSA-N
XLogP2.72
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]benzamide
CID 55836947
(4-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 136579367
[4-methoxy-3-(trifluoromethyl)phenyl]-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749408
1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]-2-[3-(trifluoromethyl)anilino]ethanone
CID 56552955
(5-methoxypyrazin-2-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749473
4-phenyl-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]butan-1-one
CID 60571114
(2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 124731707
3,4,5-trimethoxy-N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 46601420
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 51161949
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carboxamide
CID 86953714
ethyl N-[1-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]piperidin-4-yl]carbamate
CID 47076923
3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid
CID 136516251

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]benzamide (CID 55837077) is 3,4,5-trimethoxy-N-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]benzamide is COc1cc(C(=O)NCC(=O)N2CCC(c3c[nH]c4ncccc34)CC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]benzamide?
The InChIKey is UJMSAVWOYZBOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-31-19-11-16(12-20(32-2)22(19)33-3)24(30)27-14-21(29)28-9-6-15(7-10-28)18-13-26-23-17(18)5-4-8-25-23/h4-5,8,11-13,15H,6-7,9-10,14H2,1-3H3,(H,25,26)(H,27,30).
What are the key properties of 3,4,5-trimethoxy-N-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]benzamide?
3,4,5-trimethoxy-N-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]benzamide has a molecular weight of 452.51 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-oxo-2-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]ethyl]benzamide is sourced from PubChem (CID 55837077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).