N-(1H-indol-4-yl)-2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide

C18H19N5O2 — CID 99789613

IUPACN-(1H-indol-4-yl)-2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide
SMILESO=C(Nc1cccc2[nH]ccc12)C(=O)N1CCCC[C@@H]1c1cn[nH]c1
InChIInChI=1S/C18H19N5O2/c24-17(22-15-5-3-4-14-13(15)7-8-19-14)18(25)23-9-2-1-6-16(23)12-10-20-21-11-12/h3-5,7-8,10-11,16,19H,1-2,6,9H2,(H,20,21)(H,22,24)/t16-/m1/s1
InChIKeyIVJJBJBQACKNTC-MRXNPFEDSA-N
MW337.38 g/mol
LogP2.58
Rot. Bonds2

About N-(1H-indol-4-yl)-2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide

N-(1H-indol-4-yl)-2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide (PubChem CID 99789613) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(1H-indol-4-yl)-2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1H-indol-4-yl)-2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide
PubChem CID99789613
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC NameN-(1H-indol-4-yl)-2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide
SMILESO=C(Nc1cccc2[nH]ccc12)C(=O)N1CCCC[C@@H]1c1cn[nH]c1
InChIInChI=1S/C18H19N5O2/c24-17(22-15-5-3-4-14-13(15)7-8-19-14)18(25)23-9-2-1-6-16(23)12-10-20-21-11-12/h3-5,7-8,10-11,16,19H,1-2,6,9H2,(H,20,21)(H,22,24)/t16-/m1/s1
InChIKeyIVJJBJBQACKNTC-MRXNPFEDSA-N
XLogP2.58
TPSA93.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-yl)-2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(1H-indol-4-yl)-2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide (CID 99789613) is N-(1H-indol-4-yl)-2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1H-indol-4-yl)-2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1H-indol-4-yl)-2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide is O=C(Nc1cccc2[nH]ccc12)C(=O)N1CCCC[C@@H]1c1cn[nH]c1.
What is the InChIKey of N-(1H-indol-4-yl)-2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide?
The InChIKey is IVJJBJBQACKNTC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-17(22-15-5-3-4-14-13(15)7-8-19-14)18(25)23-9-2-1-6-16(23)12-10-20-21-11-12/h3-5,7-8,10-11,16,19H,1-2,6,9H2,(H,20,21)(H,22,24)/t16-/m1/s1.
What are the key properties of N-(1H-indol-4-yl)-2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide?
N-(1H-indol-4-yl)-2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.58, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-yl)-2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 99789613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).