1-[2-(2-phenoxyethoxy)benzoyl]piperidine-4-carboxamide

C21H24N2O4 — CID 31302453

IUPAC1-[2-(2-phenoxyethoxy)benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccccc2OCCOc2ccccc2)CC1
InChIInChI=1S/C21H24N2O4/c22-20(24)16-10-12-23(13-11-16)21(25)18-8-4-5-9-19(18)27-15-14-26-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H2,22,24)
InChIKeyPLIBSSGTMCQYIN-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.48
Rot. Bonds7

About 1-[2-(2-phenoxyethoxy)benzoyl]piperidine-4-carboxamide

1-[2-(2-phenoxyethoxy)benzoyl]piperidine-4-carboxamide (PubChem CID 31302453) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[2-(2-phenoxyethoxy)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-phenoxyethoxy)benzoyl]piperidine-4-carboxamide
PubChem CID31302453
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-[2-(2-phenoxyethoxy)benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccccc2OCCOc2ccccc2)CC1
InChIInChI=1S/C21H24N2O4/c22-20(24)16-10-12-23(13-11-16)21(25)18-8-4-5-9-19(18)27-15-14-26-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H2,22,24)
InChIKeyPLIBSSGTMCQYIN-UHFFFAOYSA-N
XLogP2.48
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azepan-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone
CID 4954316
1-[2-(2-methoxyethoxy)benzoyl]piperidine-4-carboxylic acid
CID 54793768
1-(2-butoxybenzoyl)piperidine-4-carboxylic acid
CID 54793753
1-[2-[(3-bromophenyl)methoxy]benzoyl]piperidine-4-carboxamide
CID 31302458
1-[3-ethoxy-4-(2-phenoxyethoxy)benzenecarbothioyl]piperidine-4-carboxamide
CID 126210649
(2-methoxyphenyl)-[4-(2-phenoxyethyl)piperidin-1-yl]methanone
CID 53037966
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone
CID 46797418
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-phenoxyacetate
CID 7980424
(2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid
CID 125154179
1-[3-(phenoxymethyl)furan-2-carbonyl]piperidine-4-carboxamide
CID 29439907
(4-aminopiperidin-1-yl)-(2-phenoxyphenyl)methanone
CID 119373846
1-[4-(2-phenoxyethoxy)benzoyl]piperidine-4-carbohydrazide
CID 54794066

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenoxyethoxy)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-phenoxyethoxy)benzoyl]piperidine-4-carboxamide (CID 31302453) is 1-[2-(2-phenoxyethoxy)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-phenoxyethoxy)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-phenoxyethoxy)benzoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccccc2OCCOc2ccccc2)CC1.
What is the InChIKey of 1-[2-(2-phenoxyethoxy)benzoyl]piperidine-4-carboxamide?
The InChIKey is PLIBSSGTMCQYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c22-20(24)16-10-12-23(13-11-16)21(25)18-8-4-5-9-19(18)27-15-14-26-17-6-2-1-3-7-17/h1-9,16H,10-15H2,(H2,22,24).
What are the key properties of 1-[2-(2-phenoxyethoxy)benzoyl]piperidine-4-carboxamide?
1-[2-(2-phenoxyethoxy)benzoyl]piperidine-4-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenoxyethoxy)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 31302453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).