N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide

C21H25ClN2O3 — CID 26292366

IUPACN-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1OC
InChIInChI=1S/C21H25ClN2O3/c1-26-19-9-6-15(12-20(19)27-2)13-21(25)23-17-14-16(22)7-8-18(17)24-10-4-3-5-11-24/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,23,25)
InChIKeyITBWQQOPFXNTAI-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.53
Rot. Bonds6

About N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide

N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 26292366) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID26292366
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC NameN-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1OC
InChIInChI=1S/C21H25ClN2O3/c1-26-19-9-6-15(12-20(19)27-2)13-21(25)23-17-14-16(22)7-8-18(17)24-10-4-3-5-11-24/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,23,25)
InChIKeyITBWQQOPFXNTAI-UHFFFAOYSA-N
XLogP4.53
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 2452642
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-methoxyacetamide
CID 47108337
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-phenylacetamide
CID 7406867
N-(5-bromo-2-pyrrolidin-1-ylphenyl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 75382210
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 78806049
2-(4-chlorophenyl)-N-(2-methoxy-5-pyrrolidin-1-ylphenyl)acetamide
CID 110362005
N-(5-chloro-2-piperidin-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 2569806
N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-(4-methoxyphenyl)acetamide
CID 7491964
N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-chloro-2-pyrrolidin-1-ylanilino)acetamide
CID 41397519
N-(5-chloro-2-piperidin-1-ylphenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 55754662
4-amino-N-(5-chloro-2-piperidin-1-ylphenyl)butanamide
CID 119829370
N-(5-chloro-2-piperidin-1-ylphenyl)-2-phenylmethoxyacetamide
CID 55360085

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide (CID 26292366) is N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1OC.
What is the InChIKey of N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is ITBWQQOPFXNTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-26-19-9-6-15(12-20(19)27-2)13-21(25)23-17-14-16(22)7-8-18(17)24-10-4-3-5-11-24/h6-9,12,14H,3-5,10-11,13H2,1-2H3,(H,23,25).
What are the key properties of N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide?
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 388.90 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-piperidin-1-ylphenyl)-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 26292366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).