N-(2,3-dimethylphenyl)-N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide

C19H26N2O2 — CID 154796659

IUPACN-(2,3-dimethylphenyl)-N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)N(CC)c2cccc(C)c2C)CC1
InChIInChI=1S/C19H26N2O2/c1-5-18(22)20-12-10-16(11-13-20)19(23)21(6-2)17-9-7-8-14(3)15(17)4/h5,7-9,16H,1,6,10-13H2,2-4H3
InChIKeyCXIODHPBUGBEJO-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.08
Rot. Bonds4

About N-(2,3-dimethylphenyl)-N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide

N-(2,3-dimethylphenyl)-N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide (PubChem CID 154796659) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide
PubChem CID154796659
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-(2,3-dimethylphenyl)-N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide
SMILESC=CC(=O)N1CCC(C(=O)N(CC)c2cccc(C)c2C)CC1
InChIInChI=1S/C19H26N2O2/c1-5-18(22)20-12-10-16(11-13-20)19(23)21(6-2)17-9-7-8-14(3)15(17)4/h5,7-9,16H,1,6,10-13H2,2-4H3
InChIKeyCXIODHPBUGBEJO-UHFFFAOYSA-N
XLogP3.08
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,3-dimethylphenyl)-N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dimethylphenyl)-N-ethylthiane-4-carboxamide
CID 146419249
N,N-dimethyl-1-prop-2-enoylpiperidine-4-carboxamide
CID 60948651
2-amino-N-(2,3-dimethylphenyl)-N-ethylacetamide
CID 28794703
(2S,5R)-5-(aminomethyl)-N-(2,3-dimethylphenyl)-N-ethyloxolane-2-carboxamide;hydrochloride
CID 120788019
N-ethyl-1-(2-methylbenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 113008859
N-methyl-N-(naphthalen-2-ylmethyl)-1-prop-2-enoylpiperidine-4-carboxamide
CID 154832559
1-(2,2-dimethylpropanoyl)-N-ethyl-N-(3-methylphenyl)piperidine-4-carboxamide
CID 17224500
(3R)-N-ethyl-N-(2-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 95150702
N-(2-chlorophenyl)-N-ethylcyclohexanecarboxamide
CID 145182174
N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide
CID 113006682
1-[4-[2-(3-bromophenyl)acetyl]piperidin-1-yl]prop-2-en-1-one
CID 171509384
N-(2,5-dimethylphenyl)-N-ethyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55593185

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide (CID 154796659) is N-(2,3-dimethylphenyl)-N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide is C=CC(=O)N1CCC(C(=O)N(CC)c2cccc(C)c2C)CC1.
What is the InChIKey of N-(2,3-dimethylphenyl)-N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide?
The InChIKey is CXIODHPBUGBEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-5-18(22)20-12-10-16(11-13-20)19(23)21(6-2)17-9-7-8-14(3)15(17)4/h5,7-9,16H,1,6,10-13H2,2-4H3.
What are the key properties of N-(2,3-dimethylphenyl)-N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide?
N-(2,3-dimethylphenyl)-N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N-ethyl-1-prop-2-enoylpiperidine-4-carboxamide is sourced from PubChem (CID 154796659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).