(E)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-quinolin-8-ylprop-2-enamide

C25H25N3O2 — CID 24624114

IUPAC(E)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-quinolin-8-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2cccnc12)NCc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H25N3O2/c29-23(14-13-21-7-4-6-20-8-5-15-26-24(20)21)27-18-19-9-11-22(12-10-19)25(30)28-16-2-1-3-17-28/h4-15H,1-3,16-18H2,(H,27,29)/b14-13+
InChIKeyZGQDQWFEPNBQGY-BUHFOSPRSA-N
MW399.49 g/mol
LogP4.19
Rot. Bonds5

About (E)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-quinolin-8-ylprop-2-enamide

(E)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-quinolin-8-ylprop-2-enamide (PubChem CID 24624114) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is (E)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-quinolin-8-ylprop-2-enamide
PubChem CID24624114
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name(E)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-quinolin-8-ylprop-2-enamide
SMILESO=C(/C=C/c1cccc2cccnc12)NCc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H25N3O2/c29-23(14-13-21-7-4-6-20-8-5-15-26-24(20)21)27-18-19-9-11-22(12-10-19)25(30)28-16-2-1-3-17-28/h4-15H,1-3,16-18H2,(H,27,29)/b14-13+
InChIKeyZGQDQWFEPNBQGY-BUHFOSPRSA-N
XLogP4.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.19
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

N-[[4-(piperidine-1-carbonyl)phenyl]methyl]quinoline-8-carboxamide
CID 26977124
N-[(1-hydroxycyclobutyl)methyl]-3-quinolin-8-ylprop-2-enamide
CID 111445377
1-(3-quinolin-8-ylprop-2-enoylamino)cyclohexane-1-carboxylic acid
CID 91942315
[4-(piperidine-1-carbonyl)phenyl]methylurea
CID 51073375
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119694800
N-[(4-chlorophenyl)methyl]-3-[2-(4-methylpiperazin-1-yl)-4-(piperidine-1-carbonyl)phenyl]prop-2-enamide
CID 139762296
(E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide
CID 24623966
1-amino-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119274102
N'-methyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboximidamide
CID 111205148
(E)-3-(3-methylphenyl)-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]prop-2-enamide
CID 55708952
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16607784
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-quinolin-8-ylprop-2-enamide
CID 98669636

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-quinolin-8-ylprop-2-enamide (CID 24624114) is (E)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-quinolin-8-ylprop-2-enamide is O=C(/C=C/c1cccc2cccnc12)NCc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of (E)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-quinolin-8-ylprop-2-enamide?
The InChIKey is ZGQDQWFEPNBQGY-BUHFOSPRSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-23(14-13-21-7-4-6-20-8-5-15-26-24(20)21)27-18-19-9-11-22(12-10-19)25(30)28-16-2-1-3-17-28/h4-15H,1-3,16-18H2,(H,27,29)/b14-13+.
What are the key properties of (E)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-quinolin-8-ylprop-2-enamide?
(E)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-quinolin-8-ylprop-2-enamide has a molecular weight of 399.49 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 24624114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).