2-(3-methylbutylamino)-N-(2-piperidin-1-ylphenyl)acetamide;oxalic acid

C20H31N3O5 — CID 171668727

IUPAC2-(3-methylbutylamino)-N-(2-piperidin-1-ylphenyl)acetamide;oxalic acid
SMILESCC(C)CCNCC(=O)Nc1ccccc1N1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C18H29N3O.C2H2O4/c1-15(2)10-11-19-14-18(22)20-16-8-4-5-9-17(16)21-12-6-3-7-13-21;3-1(4)2(5)6/h4-5,8-9,15,19H,3,6-7,10-14H2,1-2H3,(H,20,22);(H,3,4)(H,5,6)
InChIKeyOXSUPPMQJNNEDB-UHFFFAOYSA-N
MW393.48 g/mol
LogP2.41
Rot. Bonds7

About 2-(3-methylbutylamino)-N-(2-piperidin-1-ylphenyl)acetamide;oxalic acid

2-(3-methylbutylamino)-N-(2-piperidin-1-ylphenyl)acetamide;oxalic acid (PubChem CID 171668727) has the molecular formula C20H31N3O5 and a molecular weight of 393.48 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-N-(2-piperidin-1-ylphenyl)acetamide;oxalic acid.

Molecular Properties

Compound Name2-(3-methylbutylamino)-N-(2-piperidin-1-ylphenyl)acetamide;oxalic acid
PubChem CID171668727
Molecular FormulaC20H31N3O5
Molecular Weight393.48 g/mol
Exact Mass393.23
IUPAC Name2-(3-methylbutylamino)-N-(2-piperidin-1-ylphenyl)acetamide;oxalic acid
SMILESCC(C)CCNCC(=O)Nc1ccccc1N1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C18H29N3O.C2H2O4/c1-15(2)10-11-19-14-18(22)20-16-8-4-5-9-17(16)21-12-6-3-7-13-21;3-1(4)2(5)6/h4-5,8-9,15,19H,3,6-7,10-14H2,1-2H3,(H,20,22);(H,3,4)(H,5,6)
InChIKeyOXSUPPMQJNNEDB-UHFFFAOYSA-N
XLogP2.41
TPSA118.97 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 52.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylbutylamino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 109005860
N-[2-(azepan-1-yl)phenyl]-2-(2-piperidin-1-ylethylamino)acetamide;oxalic acid
CID 175652876
2-(2-methoxyethylamino)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 78913422
N-(2-piperidin-1-ylphenyl)propanamide
CID 960826
2-(tert-butylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 78987037
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959
5-amino-4-methyl-N-(2-piperidin-1-ylphenyl)pentanamide
CID 82014227
5-amino-N-(2-piperidin-1-ylphenyl)hexanamide
CID 82850412
N-[2-(azepan-1-yl)phenyl]-2-(1,3-benzodioxol-5-ylmethylamino)acetamide;oxalic acid
CID 171668708
2-(cyclopentylamino)-N-(2-piperidin-1-ylphenyl)acetamide
CID 43816730
2-amino-N-(2-piperidin-1-ylphenyl)acetamide;dihydrochloride
CID 119828044
2-(2-chlorophenyl)sulfanyl-N-(2-piperidin-1-ylphenyl)acetamide
CID 112789398

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-N-(2-piperidin-1-ylphenyl)acetamide;oxalic acid?
The IUPAC name of 2-(3-methylbutylamino)-N-(2-piperidin-1-ylphenyl)acetamide;oxalic acid (CID 171668727) is 2-(3-methylbutylamino)-N-(2-piperidin-1-ylphenyl)acetamide;oxalic acid.
What is the SMILES notation for 2-(3-methylbutylamino)-N-(2-piperidin-1-ylphenyl)acetamide;oxalic acid?
The canonical SMILES for 2-(3-methylbutylamino)-N-(2-piperidin-1-ylphenyl)acetamide;oxalic acid is CC(C)CCNCC(=O)Nc1ccccc1N1CCCCC1.O=C(O)C(=O)O.
What is the InChIKey of 2-(3-methylbutylamino)-N-(2-piperidin-1-ylphenyl)acetamide;oxalic acid?
The InChIKey is OXSUPPMQJNNEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.C2H2O4/c1-15(2)10-11-19-14-18(22)20-16-8-4-5-9-17(16)21-12-6-3-7-13-21;3-1(4)2(5)6/h4-5,8-9,15,19H,3,6-7,10-14H2,1-2H3,(H,20,22);(H,3,4)(H,5,6).
What are the key properties of 2-(3-methylbutylamino)-N-(2-piperidin-1-ylphenyl)acetamide;oxalic acid?
2-(3-methylbutylamino)-N-(2-piperidin-1-ylphenyl)acetamide;oxalic acid has a molecular weight of 393.48 g/mol, XLogP of 2.41, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)-N-(2-piperidin-1-ylphenyl)acetamide;oxalic acid is sourced from PubChem (CID 171668727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).