2-[3-chloro-5-(piperidin-1-ylmethyl)phenyl]-1H-indole-5-carboximidamide

C21H23ClN4 — CID 25254513

IUPAC2-[3-chloro-5-(piperidin-1-ylmethyl)phenyl]-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2[nH]c(-c3cc(Cl)cc(CN4CCCCC4)c3)cc2c1
InChIInChI=1S/C21H23ClN4/c22-18-9-14(13-26-6-2-1-3-7-26)8-16(11-18)20-12-17-10-15(21(23)24)4-5-19(17)25-20/h4-5,8-12,25H,1-3,6-7,13H2,(H3,23,24)
InChIKeyPZKCMIIOBXFUKI-UHFFFAOYSA-N
MW366.90 g/mol
LogP4.76
Rot. Bonds4

About 2-[3-chloro-5-(piperidin-1-ylmethyl)phenyl]-1H-indole-5-carboximidamide

2-[3-chloro-5-(piperidin-1-ylmethyl)phenyl]-1H-indole-5-carboximidamide (PubChem CID 25254513) has the molecular formula C21H23ClN4 and a molecular weight of 366.90 g/mol. Its IUPAC name is 2-[3-chloro-5-(piperidin-1-ylmethyl)phenyl]-1H-indole-5-carboximidamide.

Molecular Properties

Compound Name2-[3-chloro-5-(piperidin-1-ylmethyl)phenyl]-1H-indole-5-carboximidamide
PubChem CID25254513
Molecular FormulaC21H23ClN4
Molecular Weight366.90 g/mol
Exact Mass366.16
IUPAC Name2-[3-chloro-5-(piperidin-1-ylmethyl)phenyl]-1H-indole-5-carboximidamide
SMILES[H]/N=C(\N)c1ccc2[nH]c(-c3cc(Cl)cc(CN4CCCCC4)c3)cc2c1
InChIInChI=1S/C21H23ClN4/c22-18-9-14(13-26-6-2-1-3-7-26)8-16(11-18)20-12-17-10-15(21(23)24)4-5-19(17)25-20/h4-5,8-12,25H,1-3,6-7,13H2,(H3,23,24)
InChIKeyPZKCMIIOBXFUKI-UHFFFAOYSA-N
XLogP4.76
TPSA68.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.90
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-carbamimidoylphenyl)-1H-indole-5-carboximidamide
CID 3010563
2-[4-(4-ethanimidoylphenyl)phenyl]-1H-indole-5-carboximidamide
CID 165097178
2-(4-carbamimidoyl-2-methylphenyl)-1H-indole-5-carboximidamide
CID 53320554
2-[4-(aminomethyl)phenyl]-1H-indole-6-carboximidamide
CID 155294731
2-(4-carbamimidoylphenyl)-1H-indole-6-carboximidamide;hydrate;dihydrochloride
CID 18676829
4-(azocan-1-ylmethyl)pyridine-2-carboximidamide
CID 63880856
4-(azepan-1-ylmethyl)-N'-hydroxybenzenecarboximidamide
CID 24701931
4-(azocan-1-yl)-3-chlorobenzenecarboximidamide
CID 63088884
5-chloro-2-(piperidin-1-ylmethyl)-1H-indole
CID 117176618
5-chloro-2-(pyrrolidin-1-ylmethyl)-1H-indole
CID 117176612
1-phenyl-2-[4-(piperidin-1-ylmethyl)phenyl]ethane-1,2-diimine
CID 58853501
7-[5-(1-ethanimidoylpiperidin-4-yl)oxy-1H-indol-2-yl]naphthalene-2-carboximidamide;trihydrochloride
CID 11671033

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(piperidin-1-ylmethyl)phenyl]-1H-indole-5-carboximidamide?
The IUPAC name of 2-[3-chloro-5-(piperidin-1-ylmethyl)phenyl]-1H-indole-5-carboximidamide (CID 25254513) is 2-[3-chloro-5-(piperidin-1-ylmethyl)phenyl]-1H-indole-5-carboximidamide.
What is the SMILES notation for 2-[3-chloro-5-(piperidin-1-ylmethyl)phenyl]-1H-indole-5-carboximidamide?
The canonical SMILES for 2-[3-chloro-5-(piperidin-1-ylmethyl)phenyl]-1H-indole-5-carboximidamide is [H]/N=C(\N)c1ccc2[nH]c(-c3cc(Cl)cc(CN4CCCCC4)c3)cc2c1.
What is the InChIKey of 2-[3-chloro-5-(piperidin-1-ylmethyl)phenyl]-1H-indole-5-carboximidamide?
The InChIKey is PZKCMIIOBXFUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4/c22-18-9-14(13-26-6-2-1-3-7-26)8-16(11-18)20-12-17-10-15(21(23)24)4-5-19(17)25-20/h4-5,8-12,25H,1-3,6-7,13H2,(H3,23,24).
What are the key properties of 2-[3-chloro-5-(piperidin-1-ylmethyl)phenyl]-1H-indole-5-carboximidamide?
2-[3-chloro-5-(piperidin-1-ylmethyl)phenyl]-1H-indole-5-carboximidamide has a molecular weight of 366.90 g/mol, XLogP of 4.76, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(piperidin-1-ylmethyl)phenyl]-1H-indole-5-carboximidamide is sourced from PubChem (CID 25254513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).