ethyl 1-(3-anilino-3-oxopropyl)piperidine-4-carboxylate

C17H24N2O3 — CID 739985

IUPACethyl 1-(3-anilino-3-oxopropyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C17H24N2O3/c1-2-22-17(21)14-8-11-19(12-9-14)13-10-16(20)18-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,18,20)
InChIKeyZFXOCVXZSYMFFE-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.29
Rot. Bonds6

About ethyl 1-(3-anilino-3-oxopropyl)piperidine-4-carboxylate

ethyl 1-(3-anilino-3-oxopropyl)piperidine-4-carboxylate (PubChem CID 739985) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 1-(3-anilino-3-oxopropyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-anilino-3-oxopropyl)piperidine-4-carboxylate
PubChem CID739985
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl 1-(3-anilino-3-oxopropyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C17H24N2O3/c1-2-22-17(21)14-8-11-19(12-9-14)13-10-16(20)18-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,18,20)
InChIKeyZFXOCVXZSYMFFE-UHFFFAOYSA-N
XLogP2.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Remifentanil
CID 60815
Remifentanil Hydrochloride
CID 60814
Ethyl 1-[3-(3,4-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 740689
Norcarfentanil
CID 2724431
GI 90291
CID 131560
Ethyl 4-[3-(3,4-difluoroanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 719532
Ethyl 1-[3-(4-methylanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 772564
N-(3,4-difluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 2900552
methyl 1-(5-(18F)fluoropentyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 11552587
methyl 1-(3-butan-2-yloxy-3-oxopropyl)-4-(N-propanoylanilino)piperidine-4-carboxylate
CID 14873751
Ethyl 1-[3-(2,5-dimethylanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 739973
ethyl 1-{2-[N-(3,5-dimethylphenyl)carbamoyl]ethyl}piperidine-4-carboxylate
CID 771546

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-anilino-3-oxopropyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-anilino-3-oxopropyl)piperidine-4-carboxylate (CID 739985) is ethyl 1-(3-anilino-3-oxopropyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-anilino-3-oxopropyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-anilino-3-oxopropyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(CCC(=O)Nc2ccccc2)CC1.
What is the InChIKey of ethyl 1-(3-anilino-3-oxopropyl)piperidine-4-carboxylate?
The InChIKey is ZFXOCVXZSYMFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-2-22-17(21)14-8-11-19(12-9-14)13-10-16(20)18-15-6-4-3-5-7-15/h3-7,14H,2,8-13H2,1H3,(H,18,20).
What are the key properties of ethyl 1-(3-anilino-3-oxopropyl)piperidine-4-carboxylate?
ethyl 1-(3-anilino-3-oxopropyl)piperidine-4-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-anilino-3-oxopropyl)piperidine-4-carboxylate is sourced from PubChem (CID 739985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).