3,4,5-trimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide

C21H24N2O5 — CID 7687589

IUPAC3,4,5-trimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(N3CCCCC3=O)c2)cc(OC)c1OC
InChIInChI=1S/C21H24N2O5/c1-26-17-11-14(12-18(27-2)20(17)28-3)21(25)22-15-7-6-8-16(13-15)23-10-5-4-9-19(23)24/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,22,25)
InChIKeyRDWRUIDHPSQTPW-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.48
Rot. Bonds6

About 3,4,5-trimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide

3,4,5-trimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide (PubChem CID 7687589) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
PubChem CID7687589
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name3,4,5-trimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
SMILESCOc1cc(C(=O)Nc2cccc(N3CCCCC3=O)c2)cc(OC)c1OC
InChIInChI=1S/C21H24N2O5/c1-26-17-11-14(12-18(27-2)20(17)28-3)21(25)22-15-7-6-8-16(13-15)23-10-5-4-9-19(23)24/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,22,25)
InChIKeyRDWRUIDHPSQTPW-UHFFFAOYSA-N
XLogP3.48
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687664
3,4,5-trimethoxy-N-[4-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687225
3-methoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687642
2,4-dimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687662
4-amino-5-chloro-2-methoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 119724540
N-[3-(2-oxopiperidin-1-yl)phenyl]-4-propan-2-yloxybenzamide
CID 7687596
1-[3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methyl]thiourea
CID 100683608
3,4,5-trimethoxy-N-[3-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide
CID 4578304
2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687689
1-(2-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 27870009
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
3-iodo-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 9050034

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide (CID 7687589) is 3,4,5-trimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide is COc1cc(C(=O)Nc2cccc(N3CCCCC3=O)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide?
The InChIKey is RDWRUIDHPSQTPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-26-17-11-14(12-18(27-2)20(17)28-3)21(25)22-15-7-6-8-16(13-15)23-10-5-4-9-19(23)24/h6-8,11-13H,4-5,9-10H2,1-3H3,(H,22,25).
What are the key properties of 3,4,5-trimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide?
3,4,5-trimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide has a molecular weight of 384.43 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[3-(2-oxopiperidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 7687589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).