N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide

C22H25ClN2O5 — CID 108550590

IUPACN-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)c1
InChIInChI=1S/C22H25ClN2O5/c1-28-17-10-14(11-18(13-17)29-2)21(26)24-16-6-8-25(9-7-16)22(27)19-12-15(23)4-5-20(19)30-3/h4-5,10-13,16H,6-9H2,1-3H3,(H,24,26)
InChIKeyGELPQDKQTYPQDA-UHFFFAOYSA-N
MW432.90 g/mol
LogP3.40
Rot. Bonds6

About N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide

N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide (PubChem CID 108550590) has the molecular formula C22H25ClN2O5 and a molecular weight of 432.90 g/mol. Its IUPAC name is N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide
PubChem CID108550590
Molecular FormulaC22H25ClN2O5
Molecular Weight432.90 g/mol
Exact Mass432.15
IUPAC NameN-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)c1
InChIInChI=1S/C22H25ClN2O5/c1-28-17-10-14(11-18(13-17)29-2)21(26)24-16-6-8-25(9-7-16)22(27)19-12-15(23)4-5-20(19)30-3/h4-5,10-13,16H,6-9H2,1-3H3,(H,24,26)
InChIKeyGELPQDKQTYPQDA-UHFFFAOYSA-N
XLogP3.40
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.90
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108550564
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-4-pyrrol-1-ylbenzamide
CID 108554801
N-[1-(2,4-dichlorobenzoyl)piperidin-4-yl]-3-methoxybenzamide
CID 108559737
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
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-2-ethylbutanamide
CID 108555592
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 108549536
5-chloro-2-methoxy-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108552263
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
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]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552045

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide (CID 108550590) is N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NC2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)c1.
What is the InChIKey of N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide?
The InChIKey is GELPQDKQTYPQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O5/c1-28-17-10-14(11-18(13-17)29-2)21(26)24-16-6-8-25(9-7-16)22(27)19-12-15(23)4-5-20(19)30-3/h4-5,10-13,16H,6-9H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide?
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide has a molecular weight of 432.90 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 108550590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).