2-(2-cyanophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide

C18H25N3O2 — CID 9472760

IUPAC2-(2-cyanophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
SMILESC[C@H]1CCCCN1CCCNC(=O)COc1ccccc1C#N
InChIInChI=1S/C18H25N3O2/c1-15-7-4-5-11-21(15)12-6-10-20-18(22)14-23-17-9-3-2-8-16(17)13-19/h2-3,8-9,15H,4-7,10-12,14H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyPFHAJUXAMKNKBA-HNNXBMFYSA-N
MW315.42 g/mol
LogP2.32
Rot. Bonds7

About 2-(2-cyanophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide

2-(2-cyanophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide (PubChem CID 9472760) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
PubChem CID9472760
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name2-(2-cyanophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
SMILESC[C@H]1CCCCN1CCCNC(=O)COc1ccccc1C#N
InChIInChI=1S/C18H25N3O2/c1-15-7-4-5-11-21(15)12-6-10-20-18(22)14-23-17-9-3-2-8-16(17)13-19/h2-3,8-9,15H,4-7,10-12,14H2,1H3,(H,20,22)/t15-/m0/s1
InChIKeyPFHAJUXAMKNKBA-HNNXBMFYSA-N
XLogP2.32
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-methylpyrrolidin-1-yl)propoxy]benzonitrile
CID 54882660
2-(2-bromo-4-fluorophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide
CID 9472975
2-(2-cyanophenoxy)-N-(2-cyclopentylethyl)acetamide
CID 60731847
5-[(2-cyanophenoxy)methyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]furan-2-carboxamide
CID 55873591
2-(4-acetyl-2-methoxyphenoxy)-N-[4-(2-methylpiperidin-1-yl)butyl]acetamide
CID 55717369
N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-2-(2,4,6-trimethylphenoxy)acetamide
CID 9472887
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 85018800
4-cyano-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472549
4-cyano-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472553
3-(4-cyanophenyl)-N-[4-(2-methylpiperidin-1-yl)butyl]propanamide
CID 47036264
1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 60547514

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide (CID 9472760) is 2-(2-cyanophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide is C[C@H]1CCCCN1CCCNC(=O)COc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide?
The InChIKey is PFHAJUXAMKNKBA-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-15-7-4-5-11-21(15)12-6-10-20-18(22)14-23-17-9-3-2-8-16(17)13-19/h2-3,8-9,15H,4-7,10-12,14H2,1H3,(H,20,22)/t15-/m0/s1.
What are the key properties of 2-(2-cyanophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide?
2-(2-cyanophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]acetamide is sourced from PubChem (CID 9472760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).