N'-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide

C19H22N4O — CID 15951198

IUPACN'-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide
SMILESCN1CCC(c2c[nH]c3ccc(/N=C(\N)c4ccco4)cc23)CC1
InChIInChI=1S/C19H22N4O/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-5,10-13,21H,6-9H2,1H3,(H2,20,22)
InChIKeyDUYGYKLNIICLLA-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.61
Rot. Bonds3

About N'-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide

N'-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide (PubChem CID 15951198) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N'-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide.

Molecular Properties

Compound NameN'-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide
PubChem CID15951198
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN'-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide
SMILESCN1CCC(c2c[nH]c3ccc(/N=C(\N)c4ccco4)cc23)CC1
InChIInChI=1S/C19H22N4O/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-5,10-13,21H,6-9H2,1H3,(H2,20,22)
InChIKeyDUYGYKLNIICLLA-UHFFFAOYSA-N
XLogP3.61
TPSA70.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide?
The IUPAC name of N'-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide (CID 15951198) is N'-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide.
What is the SMILES notation for N'-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide?
The canonical SMILES for N'-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide is CN1CCC(c2c[nH]c3ccc(/N=C(\N)c4ccco4)cc23)CC1.
What is the InChIKey of N'-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide?
The InChIKey is DUYGYKLNIICLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-5,10-13,21H,6-9H2,1H3,(H2,20,22).
What are the key properties of N'-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide?
N'-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide has a molecular weight of 322.41 g/mol, XLogP of 3.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]furan-2-carboximidamide is sourced from PubChem (CID 15951198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).