N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide

C23H29N3O3 — CID 18149186

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-29-21-10-7-18(8-11-21)9-12-22(27)24-20-13-15-26(16-14-20)17-23(28)25-19-5-3-2-4-6-19/h2-8,10-11,20H,9,12-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyWCSKIPOVYWIHFU-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.85
Rot. Bonds8

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide (PubChem CID 18149186) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
PubChem CID18149186
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C23H29N3O3/c1-29-21-10-7-18(8-11-21)9-12-22(27)24-20-13-15-26(16-14-20)17-23(28)25-19-5-3-2-4-6-19/h2-8,10-11,20H,9,12-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyWCSKIPOVYWIHFU-UHFFFAOYSA-N
XLogP2.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(3,5-dimethoxyanilino)-2-oxoethyl]piperidin-4-yl]-3-phenylpropanamide
CID 55853187
2-[4-[[2-[4-(3-oxobutyl)phenoxy]acetyl]amino]piperidin-1-yl]-N-phenylacetamide
CID 55524217
N-(1-ethylpiperidin-4-yl)-3-(4-methoxyphenyl)propanamide
CID 17250230
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-thiophen-3-ylpropanamide
CID 16613440
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 16589762
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
CID 120564436
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(4-chlorophenyl)acetamide
CID 16589818
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 29326253
N-[1-[(4-ethoxyphenyl)carbamothioyl]piperidin-4-yl]-3-phenylpropanamide
CID 43076689
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide
CID 16589823
N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
CID 114297242

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide (CID 18149186) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is WCSKIPOVYWIHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-29-21-10-7-18(8-11-21)9-12-22(27)24-20-13-15-26(16-14-20)17-23(28)25-19-5-3-2-4-6-19/h2-8,10-11,20H,9,12-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 395.50 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 18149186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).