3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide

C18H24ClN3O2 — CID 71879951

IUPAC3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2[nH]c3ccccc3c2Cl)CC1
InChIInChI=1S/C18H24ClN3O2/c1-24-11-10-22-8-6-13(7-9-22)12-20-18(23)17-16(19)14-4-2-3-5-15(14)21-17/h2-5,13,21H,6-12H2,1H3,(H,20,23)
InChIKeyICCIYUBWVIZAKR-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.91
Rot. Bonds6

About 3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide

3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 71879951) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide
PubChem CID71879951
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2[nH]c3ccccc3c2Cl)CC1
InChIInChI=1S/C18H24ClN3O2/c1-24-11-10-22-8-6-13(7-9-22)12-20-18(23)17-16(19)14-4-2-3-5-15(14)21-17/h2-5,13,21H,6-12H2,1H3,(H,20,23)
InChIKeyICCIYUBWVIZAKR-UHFFFAOYSA-N
XLogP2.91
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-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-butylpiperidin-4-yl)methyl]-2-methoxy-1H-indole-3-carboxamide;hydrochloride
CID 67829601
1-[(1-benzylazetidin-2-yl)methyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea
CID 166243003
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895556
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide
CID 95238690
2-(2-bromoethoxy)-N-[(1-butylpiperidin-4-yl)methyl]-1H-indole-3-carboxamide
CID 10789037
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-benzimidazol-2-amine
CID 133410029
(2R)-2-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-phenylacetamide
CID 97062875
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 71879874
3,4,5-trimethoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895501
(2S)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide
CID 95161197
(2R)-2-(2-chlorophenoxy)-N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]propanamide
CID 95161198

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of 3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide (CID 71879951) is 3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide is COCCN1CCC(CNC(=O)c2[nH]c3ccccc3c2Cl)CC1.
What is the InChIKey of 3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is ICCIYUBWVIZAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c1-24-11-10-22-8-6-13(7-9-22)12-20-18(23)17-16(19)14-4-2-3-5-15(14)21-17/h2-5,13,21H,6-12H2,1H3,(H,20,23).
What are the key properties of 3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide?
3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 349.86 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71879951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).