1-[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]-N-pentylpiperidine-4-carboxamide

C24H37N3O4 — CID 55718088

IUPAC1-[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)C(NC(=O)COc2ccccc2)C(C)C)CC1
InChIInChI=1S/C24H37N3O4/c1-4-5-9-14-25-23(29)19-12-15-27(16-13-19)24(30)22(18(2)3)26-21(28)17-31-20-10-7-6-8-11-20/h6-8,10-11,18-19,22H,4-5,9,12-17H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyZTWYUGJHRCPWPZ-UHFFFAOYSA-N
MW431.58 g/mol
LogP2.75
Rot. Bonds11

About 1-[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]-N-pentylpiperidine-4-carboxamide

1-[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]-N-pentylpiperidine-4-carboxamide (PubChem CID 55718088) has the molecular formula C24H37N3O4 and a molecular weight of 431.58 g/mol. Its IUPAC name is 1-[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]-N-pentylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]-N-pentylpiperidine-4-carboxamide
PubChem CID55718088
Molecular FormulaC24H37N3O4
Molecular Weight431.58 g/mol
Exact Mass431.28
IUPAC Name1-[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]-N-pentylpiperidine-4-carboxamide
SMILESCCCCCNC(=O)C1CCN(C(=O)C(NC(=O)COc2ccccc2)C(C)C)CC1
InChIInChI=1S/C24H37N3O4/c1-4-5-9-14-25-23(29)19-12-15-27(16-13-19)24(30)22(18(2)3)26-21(28)17-31-20-10-7-6-8-11-20/h6-8,10-11,18-19,22H,4-5,9,12-17H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyZTWYUGJHRCPWPZ-UHFFFAOYSA-N
XLogP2.75
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
CID 113005595
N-pentyl-1-[2-(3-propan-2-ylphenoxy)acetyl]piperidine-4-carboxamide
CID 55718257
N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(4-phenylmethoxyphenoxy)acetamide
CID 45286233
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
1-[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]piperidine-4-carboxylic acid
CID 119166665
N-(3-methoxypropyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 113003301
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-2-phenoxyacetamide
CID 47101035
N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]-3-phenoxypropanamide
CID 110349075
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 110673920
N-[(2S)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]-2-phenoxyacetamide
CID 9271077
3-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(2-phenoxyacetyl)amino]butanamide
CID 86990783
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylacetyl]-N-pentylpiperidine-4-carboxamide
CID 56573027

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]-N-pentylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]-N-pentylpiperidine-4-carboxamide (CID 55718088) is 1-[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]-N-pentylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]-N-pentylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]-N-pentylpiperidine-4-carboxamide is CCCCCNC(=O)C1CCN(C(=O)C(NC(=O)COc2ccccc2)C(C)C)CC1.
What is the InChIKey of 1-[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]-N-pentylpiperidine-4-carboxamide?
The InChIKey is ZTWYUGJHRCPWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O4/c1-4-5-9-14-25-23(29)19-12-15-27(16-13-19)24(30)22(18(2)3)26-21(28)17-31-20-10-7-6-8-11-20/h6-8,10-11,18-19,22H,4-5,9,12-17H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 1-[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]-N-pentylpiperidine-4-carboxamide?
1-[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]-N-pentylpiperidine-4-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 2.75, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-2-[(2-phenoxyacetyl)amino]butanoyl]-N-pentylpiperidine-4-carboxamide is sourced from PubChem (CID 55718088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).