N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide

C20H31N3O — CID 1460513

IUPACN-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC1
InChIInChI=1S/C20H31N3O/c1-17-10-14-22(15-11-17)16-20(24)21-18-6-8-19(9-7-18)23-12-4-2-3-5-13-23/h6-9,17H,2-5,10-16H2,1H3,(H,21,24)
InChIKeyPIWGBIFSPGSXQO-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.74
Rot. Bonds4

About N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide

N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 1460513) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID1460513
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC1
InChIInChI=1S/C20H31N3O/c1-17-10-14-22(15-11-17)16-20(24)21-18-6-8-19(9-7-18)23-12-4-2-3-5-13-23/h6-9,17H,2-5,10-16H2,1H3,(H,21,24)
InChIKeyPIWGBIFSPGSXQO-UHFFFAOYSA-N
XLogP3.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 8543875
methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate
CID 8591015
N-(4-acetamidophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2697828
3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 108942827
2-(4-methylpiperidin-1-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54816946
2-(4-methylpiperidin-1-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide;oxalic acid
CID 24746961
N-[4-(1,4-oxazepan-4-yl)phenyl]-2-piperidin-1-ylacetamide
CID 155391873
2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 51172052
2-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 60561318
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methylpiperidine-1-carbodithioate
CID 9032922
2-(4-formylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 108995838
2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[4-(azepan-1-yl)phenyl]acetamide
CID 166024724

Frequently Asked Questions

What is the IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide (CID 1460513) is N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide is CC1CCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC1.
What is the InChIKey of N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is PIWGBIFSPGSXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-17-10-14-22(15-11-17)16-20(24)21-18-6-8-19(9-7-18)23-12-4-2-3-5-13-23/h6-9,17H,2-5,10-16H2,1H3,(H,21,24).
What are the key properties of N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide?
N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 329.49 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 1460513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).