N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide

C24H31N3O3 — CID 54822737

IUPACN-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
SMILESCCCOc1ccc(NCC(=O)Nc2cccc(C(=O)N3CCC(C)CC3)c2)cc1
InChIInChI=1S/C24H31N3O3/c1-3-15-30-22-9-7-20(8-10-22)25-17-23(28)26-21-6-4-5-19(16-21)24(29)27-13-11-18(2)12-14-27/h4-10,16,18,25H,3,11-15,17H2,1-2H3,(H,26,28)
InChIKeyWMVJMGGMMMDTPN-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.40
Rot. Bonds8

About N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide

N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide (PubChem CID 54822737) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
PubChem CID54822737
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide
SMILESCCCOc1ccc(NCC(=O)Nc2cccc(C(=O)N3CCC(C)CC3)c2)cc1
InChIInChI=1S/C24H31N3O3/c1-3-15-30-22-9-7-20(8-10-22)25-17-23(28)26-21-6-4-5-19(16-21)24(29)27-13-11-18(2)12-14-27/h4-10,16,18,25H,3,11-15,17H2,1-2H3,(H,26,28)
InChIKeyWMVJMGGMMMDTPN-UHFFFAOYSA-N
XLogP4.40
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-hexoxyanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54820582
2-[4-(2-methoxyethoxy)anilino]-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54822272
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822959
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823709
N-(4-ethoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843517
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54830898
N-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843222
N-(3-hexoxyphenyl)-2-[4-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54830769
N-(4-methoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843609
2-(4-fluoroanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813298
2-(4-hexoxyanilino)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821096

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide?
The IUPAC name of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide (CID 54822737) is N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide.
What is the SMILES notation for N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide?
The canonical SMILES for N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide is CCCOc1ccc(NCC(=O)Nc2cccc(C(=O)N3CCC(C)CC3)c2)cc1.
What is the InChIKey of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide?
The InChIKey is WMVJMGGMMMDTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-3-15-30-22-9-7-20(8-10-22)25-17-23(28)26-21-6-4-5-19(16-21)24(29)27-13-11-18(2)12-14-27/h4-10,16,18,25H,3,11-15,17H2,1-2H3,(H,26,28).
What are the key properties of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide?
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide has a molecular weight of 409.53 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(4-propoxyanilino)acetamide is sourced from PubChem (CID 54822737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).