N-[2-(ethoxymethyl)phenyl]-1-prop-2-ynylpiperidine-4-carboxamide

C18H24N2O2 — CID 86850936

IUPACN-[2-(ethoxymethyl)phenyl]-1-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)Nc2ccccc2COCC)CC1
InChIInChI=1S/C18H24N2O2/c1-3-11-20-12-9-15(10-13-20)18(21)19-17-8-6-5-7-16(17)14-22-4-2/h1,5-8,15H,4,9-14H2,2H3,(H,19,21)
InChIKeyOFRFPRNMXCRVNR-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.51
Rot. Bonds6

About N-[2-(ethoxymethyl)phenyl]-1-prop-2-ynylpiperidine-4-carboxamide

N-[2-(ethoxymethyl)phenyl]-1-prop-2-ynylpiperidine-4-carboxamide (PubChem CID 86850936) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[2-(ethoxymethyl)phenyl]-1-prop-2-ynylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(ethoxymethyl)phenyl]-1-prop-2-ynylpiperidine-4-carboxamide
PubChem CID86850936
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[2-(ethoxymethyl)phenyl]-1-prop-2-ynylpiperidine-4-carboxamide
SMILESC#CCN1CCC(C(=O)Nc2ccccc2COCC)CC1
InChIInChI=1S/C18H24N2O2/c1-3-11-20-12-9-15(10-13-20)18(21)19-17-8-6-5-7-16(17)14-22-4-2/h1,5-8,15H,4,9-14H2,2H3,(H,19,21)
InChIKeyOFRFPRNMXCRVNR-UHFFFAOYSA-N
XLogP2.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-(ethoxymethyl)phenyl]-1-prop-2-ynylpiperidine-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-ethylphenyl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 47069247
1-(2-cyano-4-fluorophenyl)-N-[2-(ethoxymethyl)phenyl]piperidine-4-carboxamide
CID 167954599
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
1-acetyl-N-[2-[(dimethylamino)methyl]phenyl]piperidine-4-carboxamide
CID 47029013
5-(cyclopropanecarbonylamino)-N-[2-(ethoxymethyl)phenyl]-3-methylthiophene-2-carboxamide
CID 86822599
N-(4-oxo-1H-pyridin-3-yl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 71937481
N-(3-ethoxypropyl)-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperidine-4-carboxamide
CID 55663165
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
ethyl 4-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]carbamoyl]piperidine-1-carboxylate
CID 43044561
1-acetyl-N-[2-(hydroxymethyl)phenyl]piperidine-4-carboxamide
CID 60655294
N-(2-ethylphenyl)-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147541
methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007794

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethoxymethyl)phenyl]-1-prop-2-ynylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(ethoxymethyl)phenyl]-1-prop-2-ynylpiperidine-4-carboxamide (CID 86850936) is N-[2-(ethoxymethyl)phenyl]-1-prop-2-ynylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(ethoxymethyl)phenyl]-1-prop-2-ynylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(ethoxymethyl)phenyl]-1-prop-2-ynylpiperidine-4-carboxamide is C#CCN1CCC(C(=O)Nc2ccccc2COCC)CC1.
What is the InChIKey of N-[2-(ethoxymethyl)phenyl]-1-prop-2-ynylpiperidine-4-carboxamide?
The InChIKey is OFRFPRNMXCRVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-11-20-12-9-15(10-13-20)18(21)19-17-8-6-5-7-16(17)14-22-4-2/h1,5-8,15H,4,9-14H2,2H3,(H,19,21).
What are the key properties of N-[2-(ethoxymethyl)phenyl]-1-prop-2-ynylpiperidine-4-carboxamide?
N-[2-(ethoxymethyl)phenyl]-1-prop-2-ynylpiperidine-4-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethoxymethyl)phenyl]-1-prop-2-ynylpiperidine-4-carboxamide is sourced from PubChem (CID 86850936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).