N-[1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide

C26H29N3O3 — CID 47060027

IUPACN-[1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide
SMILESCC(=O)Nc1cccc2c1CCCN2C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C26H29N3O3/c1-19(30)27-23-10-5-11-24-22(23)9-6-16-29(24)26(32)21-14-17-28(18-15-21)25(31)13-12-20-7-3-2-4-8-20/h2-5,7-8,10-13,21H,6,9,14-18H2,1H3,(H,27,30)/b13-12+
InChIKeyLYECYNWZHDVIOD-OUKQBFOZSA-N
MW431.54 g/mol
LogP3.88
Rot. Bonds4

About N-[1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide

N-[1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide (PubChem CID 47060027) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide
PubChem CID47060027
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC NameN-[1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide
SMILESCC(=O)Nc1cccc2c1CCCN2C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C26H29N3O3/c1-19(30)27-23-10-5-11-24-22(23)9-6-16-29(24)26(32)21-14-17-28(18-15-21)25(31)13-12-20-7-3-2-4-8-20/h2-5,7-8,10-13,21H,6,9,14-18H2,1H3,(H,27,30)/b13-12+
InChIKeyLYECYNWZHDVIOD-OUKQBFOZSA-N
XLogP3.88
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 84940723
(E)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 26773682
N-(2-chlorophenyl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 26574940
N-[3-(cyclopropanecarbonylamino)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 38326782
N-[1-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]-4-fluorobenzamide
CID 55978631
N-[4-[(E)-3-oxo-3-pyrrolidin-1-ylprop-1-enyl]phenyl]acetamide
CID 39878522
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 9361387
1-[(E)-3-phenylprop-2-enoyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46522990
1-[4-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 55889163
1-[(E)-3-(3-fluorophenyl)prop-2-enoyl]-N-phenylpiperidine-4-carboxamide
CID 9051294
N-(4-methoxyphenyl)-1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide
CID 55966988
N-[4-[(E)-3-oxo-3-piperidin-1-ylprop-1-enyl]phenyl]acetamide
CID 36866079

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide?
The IUPAC name of N-[1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide (CID 47060027) is N-[1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide.
What is the SMILES notation for N-[1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide?
The canonical SMILES for N-[1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide is CC(=O)Nc1cccc2c1CCCN2C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of N-[1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide?
The InChIKey is LYECYNWZHDVIOD-OUKQBFOZSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-19(30)27-23-10-5-11-24-22(23)9-6-16-29(24)26(32)21-14-17-28(18-15-21)25(31)13-12-20-7-3-2-4-8-20/h2-5,7-8,10-13,21H,6,9,14-18H2,1H3,(H,27,30)/b13-12+.
What are the key properties of N-[1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide?
N-[1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carbonyl]-3,4-dihydro-2H-quinolin-5-yl]acetamide is sourced from PubChem (CID 47060027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).