N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide

C22H27N3O3 — CID 110601077

IUPACN-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H27N3O3/c26-21(13-16-28-20-7-3-1-4-8-20)23-17-22(27)24-18-9-11-19(12-10-18)25-14-5-2-6-15-25/h1,3-4,7-12H,2,5-6,13-17H2,(H,23,26)(H,24,27)
InChIKeyXATBQXRCIAVDQR-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.20
Rot. Bonds8

About N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide

N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide (PubChem CID 110601077) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide
PubChem CID110601077
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H27N3O3/c26-21(13-16-28-20-7-3-1-4-8-20)23-17-22(27)24-18-9-11-19(12-10-18)25-14-5-2-6-15-25/h1,3-4,7-12H,2,5-6,13-17H2,(H,23,26)(H,24,27)
InChIKeyXATBQXRCIAVDQR-UHFFFAOYSA-N
XLogP3.20
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-morpholin-4-ylphenyl)-3-phenoxypropanamide
CID 26269482
N-[2-(4-chloroanilino)-2-oxoethyl]-3-phenoxypropanamide
CID 112997910
N-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]butanamide
CID 113000164
4-phenoxy-N-[(4-piperidin-1-ylphenyl)carbamothioyl]butanamide
CID 19188430
N-(2,6-dichlorophenyl)-4-[4-(3-phenoxypropanoylamino)phenyl]piperazine-1-carboxamide
CID 58258409
3-(3,4-dimethylphenoxy)-N-(4-piperidin-1-ylphenyl)propanamide
CID 55573308
2-(4-ethoxyphenyl)-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]acetamide
CID 110601075
N-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-3-phenoxypropanamide
CID 112984226
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-(3-methylphenoxy)propanoate
CID 7840372
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N-[4-(azepan-1-yl)phenyl]-2-[(4-methoxyphenyl)carbamoylamino]acetamide
CID 17463645
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide?
The IUPAC name of N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide (CID 110601077) is N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NCC(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide?
The InChIKey is XATBQXRCIAVDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c26-21(13-16-28-20-7-3-1-4-8-20)23-17-22(27)24-18-9-11-19(12-10-18)25-14-5-2-6-15-25/h1,3-4,7-12H,2,5-6,13-17H2,(H,23,26)(H,24,27).
What are the key properties of N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide?
N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide has a molecular weight of 381.48 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]-3-phenoxypropanamide is sourced from PubChem (CID 110601077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).