2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide

C20H31N3O2 — CID 110016946

IUPAC2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC1CCCC(CO)N1CC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H31N3O2/c1-16-6-5-7-19(15-24)23(16)14-20(25)21-17-8-10-18(11-9-17)22-12-3-2-4-13-22/h8-11,16,19,24H,2-7,12-15H2,1H3,(H,21,25)
InChIKeyPYLSDILTPDVECO-UHFFFAOYSA-N
MW345.49 g/mol
LogP2.85
Rot. Bonds5

About 2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide

2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide (PubChem CID 110016946) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
PubChem CID110016946
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
SMILESCC1CCCC(CO)N1CC(=O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H31N3O2/c1-16-6-5-7-19(15-24)23(16)14-20(25)21-17-8-10-18(11-9-17)22-12-3-2-4-13-22/h8-11,16,19,24H,2-7,12-15H2,1H3,(H,21,25)
InChIKeyPYLSDILTPDVECO-UHFFFAOYSA-N
XLogP2.85
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
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

2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 111496286
2-(8-azabicyclo[3.2.1]octan-8-yl)-N-[4-(azepan-1-yl)phenyl]acetamide
CID 166024724
2-(4-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 8543875
N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 1460513
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110881550
2-[2-(aminomethyl)-6-methylpiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 63555925
2-(1-methylpiperidin-2-yl)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110862093
methyl 1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]piperidine-4-carboxylate
CID 8591015
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 512844
3-(cyclopentylamino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109013734
3-(4-methylpiperidin-1-yl)-3-oxo-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 108942827

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide (CID 110016946) is 2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide is CC1CCCC(CO)N1CC(=O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
The InChIKey is PYLSDILTPDVECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16-6-5-7-19(15-24)23(16)14-20(25)21-17-8-10-18(11-9-17)22-12-3-2-4-13-22/h8-11,16,19,24H,2-7,12-15H2,1H3,(H,21,25).
What are the key properties of 2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide?
2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide has a molecular weight of 345.49 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-6-methylpiperidin-1-yl]-N-(4-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 110016946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).