5-chloro-2-methoxy-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide

C24H24ClN3O3 — CID 108552258

IUPAC5-chloro-2-methoxy-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C24H24ClN3O3/c1-31-22-9-6-18(25)16-21(22)23(29)26-19-10-14-28(15-11-19)24(30)17-4-7-20(8-5-17)27-12-2-3-13-27/h2-9,12-13,16,19H,10-11,14-15H2,1H3,(H,26,29)
InChIKeyOOGXGCAVSWYIOH-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.17
Rot. Bonds5

About 5-chloro-2-methoxy-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide

5-chloro-2-methoxy-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide (PubChem CID 108552258) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide
PubChem CID108552258
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name5-chloro-2-methoxy-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C24H24ClN3O3/c1-31-22-9-6-18(25)16-21(22)23(29)26-19-10-14-28(15-11-19)24(30)17-4-7-20(8-5-17)27-12-2-3-13-27/h2-9,12-13,16,19H,10-11,14-15H2,1H3,(H,26,29)
InChIKeyOOGXGCAVSWYIOH-UHFFFAOYSA-N
XLogP4.17
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554801
5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552291
5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552221
5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108552263
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108546179
5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552297
5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32541177
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550590
phenyl 4-[(5-chloro-2-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108560540
N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554724
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108548796
5-chloro-2-methoxy-N-[1-[2-(2-methoxyethoxy)acetyl]piperidin-4-yl]benzamide
CID 108552287

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide (CID 108552258) is 5-chloro-2-methoxy-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide is COc1ccc(Cl)cc1C(=O)NC1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1.
What is the InChIKey of 5-chloro-2-methoxy-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide?
The InChIKey is OOGXGCAVSWYIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-31-22-9-6-18(25)16-21(22)23(29)26-19-10-14-28(15-11-19)24(30)17-4-7-20(8-5-17)27-12-2-3-13-27/h2-9,12-13,16,19H,10-11,14-15H2,1H3,(H,26,29).
What are the key properties of 5-chloro-2-methoxy-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide?
5-chloro-2-methoxy-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide has a molecular weight of 437.93 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 108552258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).