N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide

C18H26N2O3 — CID 110673920

IUPACN-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C18H26N2O3/c1-3-14(2)19-18(22)15-9-11-20(12-10-15)17(21)13-23-16-7-5-4-6-8-16/h4-8,14-15H,3,9-13H2,1-2H3,(H,19,22)
InChIKeyBXIWUWYAGAWMPL-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.22
Rot. Bonds6

About N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide

N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide (PubChem CID 110673920) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
PubChem CID110673920
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
SMILESCCC(C)NC(=O)C1CCN(C(=O)COc2ccccc2)CC1
InChIInChI=1S/C18H26N2O3/c1-3-14(2)19-18(22)15-9-11-20(12-10-15)17(21)13-23-16-7-5-4-6-8-16/h4-8,14-15H,3,9-13H2,1-2H3,(H,19,22)
InChIKeyBXIWUWYAGAWMPL-UHFFFAOYSA-N
XLogP2.22
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119221159
2-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119225453
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxyethanone;hydrochloride
CID 119517204
3-[[1-(2-phenoxyacetyl)piperidine-3-carbonyl]amino]butanoic acid
CID 119347944
N-(4-acetamidophenyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631454
1-(2-phenoxyacetyl)-N-(3-propan-2-yloxypropyl)piperidine-4-carboxamide
CID 55635182
N-(2-amino-2-phenylethyl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide;hydrochloride
CID 119528943
N-[(2S)-3-methylbutan-2-yl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 94521670
N-butan-2-yl-1-(2,2-diphenylacetyl)piperidine-4-carboxamide
CID 113002830
methyl 3-[[1-(2-phenoxyacetyl)piperidine-4-carbonyl]amino]-3-thiophen-2-ylpropanoate
CID 55633003
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633786
N-phenyl-1-[2-(4-propoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 41499383

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide (CID 110673920) is N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide is CCC(C)NC(=O)C1CCN(C(=O)COc2ccccc2)CC1.
What is the InChIKey of N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
The InChIKey is BXIWUWYAGAWMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-3-14(2)19-18(22)15-9-11-20(12-10-15)17(21)13-23-16-7-5-4-6-8-16/h4-8,14-15H,3,9-13H2,1-2H3,(H,19,22).
What are the key properties of N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide?
N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-(2-phenoxyacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110673920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).