2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide

C24H31N3O2 — CID 86972171

IUPAC2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CN1CCCC(COc2ccccc2)C1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C24H31N3O2/c28-24(25-21-10-12-22(13-11-21)27-15-4-5-16-27)18-26-14-6-7-20(17-26)19-29-23-8-2-1-3-9-23/h1-3,8-13,20H,4-7,14-19H2,(H,25,28)
InChIKeyQKSRGTPXEXVXFK-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.02
Rot. Bonds7

About 2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 86972171) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID86972171
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESO=C(CN1CCCC(COc2ccccc2)C1)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C24H31N3O2/c28-24(25-21-10-12-22(13-11-21)27-15-4-5-16-27)18-26-14-6-7-20(17-26)19-29-23-8-2-1-3-9-23/h1-3,8-13,20H,4-7,14-19H2,(H,25,28)
InChIKeyQKSRGTPXEXVXFK-UHFFFAOYSA-N
XLogP4.02
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.02
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-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972270
N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972309
N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972186
methyl 3-[[2-[3-(phenoxymethyl)piperidin-1-yl]acetyl]amino]benzoate
CID 86972356
N-(2,3-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972219
N-(2,5-dimethylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972182
2-[3-(fluoromethyl)piperidin-1-yl]-N-phenylacetamide
CID 171690935
N-(4-ethoxyphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642593
1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43440705
N-methyl-2-[3-(phenoxymethyl)piperidin-1-yl]-N-phenylacetamide
CID 86972191
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972373
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 109006520

Frequently Asked Questions

What is the IUPAC name of 2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 86972171) is 2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide is O=C(CN1CCCC(COc2ccccc2)C1)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is QKSRGTPXEXVXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c28-24(25-21-10-12-22(13-11-21)27-15-4-5-16-27)18-26-14-6-7-20(17-26)19-29-23-8-2-1-3-9-23/h1-3,8-13,20H,4-7,14-19H2,(H,25,28).
What are the key properties of 2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 393.53 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(phenoxymethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 86972171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).