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

C28H31N3O3 — CID 54826640

IUPACN-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(3-phenylmethoxyanilino)acetamide
SMILESCC1CCN(C(=O)c2cccc(NC(=O)CNc3cccc(OCc4ccccc4)c3)c2)CC1
InChIInChI=1S/C28H31N3O3/c1-21-13-15-31(16-14-21)28(33)23-9-5-11-25(17-23)30-27(32)19-29-24-10-6-12-26(18-24)34-20-22-7-3-2-4-8-22/h2-12,17-18,21,29H,13-16,19-20H2,1H3,(H,30,32)
InChIKeyNNHJIADGTGBEJD-UHFFFAOYSA-N
MW457.57 g/mol
LogP5.19
Rot. Bonds8

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

N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(3-phenylmethoxyanilino)acetamide (PubChem CID 54826640) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(3-phenylmethoxyanilino)acetamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(3-phenylmethoxyanilino)acetamide
PubChem CID54826640
Molecular FormulaC28H31N3O3
Molecular Weight457.57 g/mol
Exact Mass457.24
IUPAC NameN-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(3-phenylmethoxyanilino)acetamide
SMILESCC1CCN(C(=O)c2cccc(NC(=O)CNc3cccc(OCc4ccccc4)c3)c2)CC1
InChIInChI=1S/C28H31N3O3/c1-21-13-15-31(16-14-21)28(33)23-9-5-11-25(17-23)30-27(32)19-29-24-10-6-12-26(18-24)34-20-22-7-3-2-4-8-22/h2-12,17-18,21,29H,13-16,19-20H2,1H3,(H,30,32)
InChIKeyNNHJIADGTGBEJD-UHFFFAOYSA-N
XLogP5.19
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.57
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-methoxyethoxy)phenyl]-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843222
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-methylprop-2-enoxy)phenyl]acetamide
CID 54842850
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
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54830898
2-[3-(4-methylpiperidine-1-carbonyl)anilino]-N-naphthalen-2-ylacetamide
CID 54843036
N-[3-(2-phenylethoxy)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841151
2-(3-ethoxyanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54826455
N-(4-ethoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843517
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(3-phenylmethoxyanilino)acetamide?
The IUPAC name of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(3-phenylmethoxyanilino)acetamide (CID 54826640) is N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(3-phenylmethoxyanilino)acetamide.
What is the SMILES notation for N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(3-phenylmethoxyanilino)acetamide?
The canonical SMILES for N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(3-phenylmethoxyanilino)acetamide is CC1CCN(C(=O)c2cccc(NC(=O)CNc3cccc(OCc4ccccc4)c3)c2)CC1.
What is the InChIKey of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(3-phenylmethoxyanilino)acetamide?
The InChIKey is NNHJIADGTGBEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-21-13-15-31(16-14-21)28(33)23-9-5-11-25(17-23)30-27(32)19-29-24-10-6-12-26(18-24)34-20-22-7-3-2-4-8-22/h2-12,17-18,21,29H,13-16,19-20H2,1H3,(H,30,32).
What are the key properties of N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(3-phenylmethoxyanilino)acetamide?
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-(3-phenylmethoxyanilino)acetamide has a molecular weight of 457.57 g/mol, XLogP of 5.19, 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-(3-phenylmethoxyanilino)acetamide is sourced from PubChem (CID 54826640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).