N-[4-(oxolan-2-ylmethoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide

C25H31N3O4 — CID 54843525

IUPACN-[4-(oxolan-2-ylmethoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(=O)N2CCCCC2)c1)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C25H31N3O4/c29-24(27-20-9-11-22(12-10-20)32-18-23-8-5-15-31-23)17-26-21-7-4-6-19(16-21)25(30)28-13-2-1-3-14-28/h4,6-7,9-12,16,23,26H,1-3,5,8,13-15,17-18H2,(H,27,29)
InChIKeyKSHZUXBFYCMJBO-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.92
Rot. Bonds8

About N-[4-(oxolan-2-ylmethoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide

N-[4-(oxolan-2-ylmethoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide (PubChem CID 54843525) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[4-(oxolan-2-ylmethoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide.

Molecular Properties

Compound NameN-[4-(oxolan-2-ylmethoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
PubChem CID54843525
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC NameN-[4-(oxolan-2-ylmethoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
SMILESO=C(CNc1cccc(C(=O)N2CCCCC2)c1)Nc1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C25H31N3O4/c29-24(27-20-9-11-22(12-10-20)32-18-23-8-5-15-31-23)17-26-21-7-4-6-19(16-21)25(30)28-13-2-1-3-14-28/h4,6-7,9-12,16,23,26H,1-3,5,8,13-15,17-18H2,(H,27,29)
InChIKeyKSHZUXBFYCMJBO-UHFFFAOYSA-N
XLogP3.92
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821563
N-[3-(azepane-1-carbonyl)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828466
2-[4-(oxolan-2-ylmethoxy)anilino]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54821595
N-(4-prop-2-enoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841091
N-(4-butoxyphenyl)-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841009
N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829242
2-[3-(2-methylpropoxy)anilino]-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54823634
N-(4-hexoxyphenyl)-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843402
3-methyl-N-[4-[[2-[4-(oxolan-2-ylmethoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54821431
N-[4-(morpholine-4-carbonyl)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843375
N-(oxolan-2-ylmethyl)-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54841657
N-[3-(azepane-1-carbonyl)phenyl]-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54822838

Frequently Asked Questions

What is the IUPAC name of N-[4-(oxolan-2-ylmethoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide?
The IUPAC name of N-[4-(oxolan-2-ylmethoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide (CID 54843525) is N-[4-(oxolan-2-ylmethoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide.
What is the SMILES notation for N-[4-(oxolan-2-ylmethoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide?
The canonical SMILES for N-[4-(oxolan-2-ylmethoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide is O=C(CNc1cccc(C(=O)N2CCCCC2)c1)Nc1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-[4-(oxolan-2-ylmethoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide?
The InChIKey is KSHZUXBFYCMJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c29-24(27-20-9-11-22(12-10-20)32-18-23-8-5-15-31-23)17-26-21-7-4-6-19(16-21)25(30)28-13-2-1-3-14-28/h4,6-7,9-12,16,23,26H,1-3,5,8,13-15,17-18H2,(H,27,29).
What are the key properties of N-[4-(oxolan-2-ylmethoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide?
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide has a molecular weight of 437.54 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(oxolan-2-ylmethoxy)phenyl]-2-[3-(piperidine-1-carbonyl)anilino]acetamide is sourced from PubChem (CID 54843525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).