N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pentalene-1-carboxamide

C18H24N2O2 — CID 158684204

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pentalene-1-carboxamide
SMILESCOCCN1CCC(CNC(=O)C2=C3C=CC=C3C=C2)CC1
InChIInChI=1S/C18H24N2O2/c1-22-12-11-20-9-7-14(8-10-20)13-19-18(21)17-6-5-15-3-2-4-16(15)17/h2-6,14H,7-13H2,1H3,(H,19,21)
InChIKeyIFNGUBUASICFLD-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.82
Rot. Bonds6

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pentalene-1-carboxamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pentalene-1-carboxamide (PubChem CID 158684204) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pentalene-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pentalene-1-carboxamide
PubChem CID158684204
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pentalene-1-carboxamide
SMILESCOCCN1CCC(CNC(=O)C2=C3C=CC=C3C=C2)CC1
InChIInChI=1S/C18H24N2O2/c1-22-12-11-20-9-7-14(8-10-20)13-19-18(21)17-6-5-15-3-2-4-16(15)17/h2-6,14H,7-13H2,1H3,(H,19,21)
InChIKeyIFNGUBUASICFLD-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pentalene-1-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-[1-(2-methoxyethyl)azetidin-3-yl]pentalene-1-carboxamide
CID 157288179
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895556
3,4,5-trimethoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895501
(2R)-2-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylacetamide
CID 97062875
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 71880041
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 71879932
4-bromo-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]benzamide
CID 95238744
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 71879874
ethane;1-(2-methoxyethyl)-N-methylpiperidine-4-carboxamide
CID 143678079
1-tert-butyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-methylguanidine;hydroiodide
CID 111547184
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 86948344

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pentalene-1-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pentalene-1-carboxamide (CID 158684204) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pentalene-1-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pentalene-1-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pentalene-1-carboxamide is COCCN1CCC(CNC(=O)C2=C3C=CC=C3C=C2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pentalene-1-carboxamide?
The InChIKey is IFNGUBUASICFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-22-12-11-20-9-7-14(8-10-20)13-19-18(21)17-6-5-15-3-2-4-16(15)17/h2-6,14H,7-13H2,1H3,(H,19,21).
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pentalene-1-carboxamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pentalene-1-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pentalene-1-carboxamide is sourced from PubChem (CID 158684204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).