N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenoxyacetamide

C25H31N3O3 — CID 1054058

IUPACN-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenoxyacetamide
SMILESCC1CCN(c2ccc(NC(=O)COc3ccccc3)cc2C(=O)N2CCCC2)CC1
InChIInChI=1S/C25H31N3O3/c1-19-11-15-27(16-12-19)23-10-9-20(17-22(23)25(30)28-13-5-6-14-28)26-24(29)18-31-21-7-3-2-4-8-21/h2-4,7-10,17,19H,5-6,11-16,18H2,1H3,(H,26,29)
InChIKeyOXLIUECIHATBQT-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.18
Rot. Bonds6

About N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenoxyacetamide

N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenoxyacetamide (PubChem CID 1054058) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenoxyacetamide
PubChem CID1054058
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenoxyacetamide
SMILESCC1CCN(c2ccc(NC(=O)COc3ccccc3)cc2C(=O)N2CCCC2)CC1
InChIInChI=1S/C25H31N3O3/c1-19-11-15-27(16-12-19)23-10-9-20(17-22(23)25(30)28-13-5-6-14-28)26-24(29)18-31-21-7-3-2-4-8-21/h2-4,7-10,17,19H,5-6,11-16,18H2,1H3,(H,26,29)
InChIKeyOXLIUECIHATBQT-UHFFFAOYSA-N
XLogP4.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.18
H-Bond Donors ≤ 51
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-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 42751211
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylmethoxyacetamide
CID 1066466
N-(2-methoxyethyl)-2-(4-methylpiperidin-1-yl)-5-[(2-phenoxyacetyl)amino]benzamide
CID 4579884
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]-2-phenylsulfanylacetamide
CID 1066469
N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]-2-phenylsulfanylacetamide
CID 1066202
1-ethyl-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 1054400
N-benzyl-5-[[2-(4-chlorophenoxy)acetyl]amino]-2-(4-methylpiperidin-1-yl)benzamide
CID 3951976
1,1-dimethyl-3-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]urea
CID 1054086
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066436
2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42751223
N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide
CID 1066165
2,2-dichloro-N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1054041

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenoxyacetamide?
The IUPAC name of N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenoxyacetamide (CID 1054058) is N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenoxyacetamide?
The canonical SMILES for N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenoxyacetamide is CC1CCN(c2ccc(NC(=O)COc3ccccc3)cc2C(=O)N2CCCC2)CC1.
What is the InChIKey of N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenoxyacetamide?
The InChIKey is OXLIUECIHATBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-19-11-15-27(16-12-19)23-10-9-20(17-22(23)25(30)28-13-5-6-14-28)26-24(29)18-31-21-7-3-2-4-8-21/h2-4,7-10,17,19H,5-6,11-16,18H2,1H3,(H,26,29).
What are the key properties of N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenoxyacetamide?
N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenoxyacetamide has a molecular weight of 421.54 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperidin-1-yl)-3-(pyrrolidine-1-carbonyl)phenyl]-2-phenoxyacetamide is sourced from PubChem (CID 1054058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).