N-(1-ethylpiperidin-3-yl)-N-(quinolin-8-ylmethyl)prop-2-enamide

C20H25N3O — CID 154879689

IUPACN-(1-ethylpiperidin-3-yl)-N-(quinolin-8-ylmethyl)prop-2-enamide
SMILESC=CC(=O)N(Cc1cccc2cccnc12)C1CCCN(CC)C1
InChIInChI=1S/C20H25N3O/c1-3-19(24)23(18-11-7-13-22(4-2)15-18)14-17-9-5-8-16-10-6-12-21-20(16)17/h3,5-6,8-10,12,18H,1,4,7,11,13-15H2,2H3
InChIKeyHHPHGTNIIJHMND-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.23
Rot. Bonds5

About N-(1-ethylpiperidin-3-yl)-N-(quinolin-8-ylmethyl)prop-2-enamide

N-(1-ethylpiperidin-3-yl)-N-(quinolin-8-ylmethyl)prop-2-enamide (PubChem CID 154879689) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-N-(quinolin-8-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-N-(quinolin-8-ylmethyl)prop-2-enamide
PubChem CID154879689
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN-(1-ethylpiperidin-3-yl)-N-(quinolin-8-ylmethyl)prop-2-enamide
SMILESC=CC(=O)N(Cc1cccc2cccnc12)C1CCCN(CC)C1
InChIInChI=1S/C20H25N3O/c1-3-19(24)23(18-11-7-13-22(4-2)15-18)14-17-9-5-8-16-10-6-12-21-20(16)17/h3,5-6,8-10,12,18H,1,4,7,11,13-15H2,2H3
InChIKeyHHPHGTNIIJHMND-UHFFFAOYSA-N
XLogP3.23
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-3-yl)-N-(quinolin-8-ylmethyl)prop-2-enamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-N-(quinolin-8-ylmethyl)prop-2-enamide (CID 154879689) is N-(1-ethylpiperidin-3-yl)-N-(quinolin-8-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-N-(quinolin-8-ylmethyl)prop-2-enamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-N-(quinolin-8-ylmethyl)prop-2-enamide is C=CC(=O)N(Cc1cccc2cccnc12)C1CCCN(CC)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-N-(quinolin-8-ylmethyl)prop-2-enamide?
The InChIKey is HHPHGTNIIJHMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-3-19(24)23(18-11-7-13-22(4-2)15-18)14-17-9-5-8-16-10-6-12-21-20(16)17/h3,5-6,8-10,12,18H,1,4,7,11,13-15H2,2H3.
What are the key properties of N-(1-ethylpiperidin-3-yl)-N-(quinolin-8-ylmethyl)prop-2-enamide?
N-(1-ethylpiperidin-3-yl)-N-(quinolin-8-ylmethyl)prop-2-enamide has a molecular weight of 323.44 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-N-(quinolin-8-ylmethyl)prop-2-enamide is sourced from PubChem (CID 154879689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).