(2R)-1-(5-methoxy-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide

C17H22N4O3 — CID 124948371

IUPAC(2R)-1-(5-methoxy-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CNCCN1C(=O)c1cc2cc(OC)ccc2n1C
InChIInChI=1S/C17H22N4O3/c1-18-16(22)15-10-19-6-7-21(15)17(23)14-9-11-8-12(24-3)4-5-13(11)20(14)2/h4-5,8-9,15,19H,6-7,10H2,1-3H3,(H,18,22)/t15-/m1/s1
InChIKeyCMLOWHAUCYEOCG-OAHLLOKOSA-N
MW330.39 g/mol
LogP0.35
Rot. Bonds3

About (2R)-1-(5-methoxy-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide

(2R)-1-(5-methoxy-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide (PubChem CID 124948371) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2R)-1-(5-methoxy-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-(5-methoxy-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
PubChem CID124948371
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(2R)-1-(5-methoxy-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)[C@H]1CNCCN1C(=O)c1cc2cc(OC)ccc2n1C
InChIInChI=1S/C17H22N4O3/c1-18-16(22)15-10-19-6-7-21(15)17(23)14-9-11-8-12(24-3)4-5-13(11)20(14)2/h4-5,8-9,15,19H,6-7,10H2,1-3H3,(H,18,22)/t15-/m1/s1
InChIKeyCMLOWHAUCYEOCG-OAHLLOKOSA-N
XLogP0.35
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-methoxy-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide?
The IUPAC name of (2R)-1-(5-methoxy-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide (CID 124948371) is (2R)-1-(5-methoxy-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for (2R)-1-(5-methoxy-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide?
The canonical SMILES for (2R)-1-(5-methoxy-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide is CNC(=O)[C@H]1CNCCN1C(=O)c1cc2cc(OC)ccc2n1C.
What is the InChIKey of (2R)-1-(5-methoxy-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide?
The InChIKey is CMLOWHAUCYEOCG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-18-16(22)15-10-19-6-7-21(15)17(23)14-9-11-8-12(24-3)4-5-13(11)20(14)2/h4-5,8-9,15,19H,6-7,10H2,1-3H3,(H,18,22)/t15-/m1/s1.
What are the key properties of (2R)-1-(5-methoxy-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide?
(2R)-1-(5-methoxy-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-methoxy-1-methylindole-2-carbonyl)-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 124948371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).