N-ethyl-N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide

C17H22N2O2 — CID 70157803

IUPACN-ethyl-N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide
SMILESCCN(C(=O)/C=C/c1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C17H22N2O2/c1-2-19(17(21)18-13-7-4-8-14-18)16(20)12-11-15-9-5-3-6-10-15/h3,5-6,9-12H,2,4,7-8,13-14H2,1H3/b12-11+
InChIKeyDCUTWDVPJFCZSC-VAWYXSNFSA-N
MW286.38 g/mol
LogP3.15
Rot. Bonds3

About N-ethyl-N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide

N-ethyl-N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide (PubChem CID 70157803) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-ethyl-N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide
PubChem CID70157803
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-ethyl-N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide
SMILESCCN(C(=O)/C=C/c1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C17H22N2O2/c1-2-19(17(21)18-13-7-4-8-14-18)16(20)12-11-15-9-5-3-6-10-15/h3,5-6,9-12H,2,4,7-8,13-14H2,1H3/b12-11+
InChIKeyDCUTWDVPJFCZSC-VAWYXSNFSA-N
XLogP3.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-oxoethyl)-N-[(E)-3-phenylprop-2-enoyl]pyrrolidine-1-carboxamide
CID 173273840
(E)-N-carbamoyl-N-ethyl-3-phenylprop-2-enamide
CID 70155111
4-phenyl-1-piperidin-1-ylbut-3-ene-1,2-dione
CID 57235481
N-methyl-N-(3-phenylprop-2-enoyl)piperazine-1-carboxamide
CID 118026213
N-[ethyl(hydroxy)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54222824
N-ethyl-N-phenylpiperidine-1-carboxamide
CID 108987918
4-phenyl-1-pyrrolidin-1-ylbut-3-ene-1,2-dione
CID 57310756
(E)-N-acetyl-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273810
(E)-N-(dimethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273669
(E)-N-[ethyl(methylamino)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273813
N-[ethoxy(ethyl)carbamoyl]-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 54377008
2-hydroxy-2-[(E)-2-phenylethenyl]-1-piperidin-1-ylpentan-1-one
CID 101385570

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide?
The IUPAC name of N-ethyl-N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide (CID 70157803) is N-ethyl-N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide.
What is the SMILES notation for N-ethyl-N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide?
The canonical SMILES for N-ethyl-N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide is CCN(C(=O)/C=C/c1ccccc1)C(=O)N1CCCCC1.
What is the InChIKey of N-ethyl-N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide?
The InChIKey is DCUTWDVPJFCZSC-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-19(17(21)18-13-7-4-8-14-18)16(20)12-11-15-9-5-3-6-10-15/h3,5-6,9-12H,2,4,7-8,13-14H2,1H3/b12-11+.
What are the key properties of N-ethyl-N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide?
N-ethyl-N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide is sourced from PubChem (CID 70157803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).