N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide

C24H24ClN3O3 — CID 108554801

IUPACN-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(NC(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C24H24ClN3O3/c1-31-22-9-6-18(25)16-21(22)24(30)28-14-10-19(11-15-28)26-23(29)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)
InChIKeyLTJCEEUCXKTCBS-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.17
Rot. Bonds5

About N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide

N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide (PubChem CID 108554801) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
PubChem CID108554801
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC NameN-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(NC(=O)c2ccc(-n3cccc3)cc2)CC1
InChIInChI=1S/C24H24ClN3O3/c1-31-22-9-6-18(25)16-21(22)24(30)28-14-10-19(11-15-28)26-23(29)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)
InChIKeyLTJCEEUCXKTCBS-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

5-chloro-2-methoxy-N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]benzamide
CID 108552258
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550590
[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 108546179
5-chloro-N-[1-(2,6-dimethoxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552221
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554779
5-chloro-N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552291
N-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108561657
4-chloro-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide
CID 108550166
5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108552263
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555592
5-chloro-2-methoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzamide
CID 32541177
5-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2-methoxybenzamide
CID 108552297

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
The IUPAC name of N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide (CID 108554801) is N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
The canonical SMILES for N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide is COc1ccc(Cl)cc1C(=O)N1CCC(NC(=O)c2ccc(-n3cccc3)cc2)CC1.
What is the InChIKey of N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
The InChIKey is LTJCEEUCXKTCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-31-22-9-6-18(25)16-21(22)24(30)28-14-10-19(11-15-28)26-23(29)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 N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide?
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide 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 N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide is sourced from PubChem (CID 108554801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).