(3R)-1-methyl-4-(6-methyl-1H-indole-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one

C27H26N4O2 — CID 124971061

IUPAC(3R)-1-methyl-4-(6-methyl-1H-indole-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
SMILESCc1ccc2cc(C(=O)N3CCN(C)C(=O)[C@H]3Cc3ccc(-c4cccnc4)cc3)[nH]c2c1
InChIInChI=1S/C27H26N4O2/c1-18-5-8-21-16-24(29-23(21)14-18)26(32)31-13-12-30(2)27(33)25(31)15-19-6-9-20(10-7-19)22-4-3-11-28-17-22/h3-11,14,16-17,25,29H,12-13,15H2,1-2H3/t25-/m1/s1
InChIKeyJUFZITPGQQQRRR-RUZDIDTESA-N
MW438.53 g/mol
LogP4.06
Rot. Bonds4

About (3R)-1-methyl-4-(6-methyl-1H-indole-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one

(3R)-1-methyl-4-(6-methyl-1H-indole-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one (PubChem CID 124971061) has the molecular formula C27H26N4O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is (3R)-1-methyl-4-(6-methyl-1H-indole-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-1-methyl-4-(6-methyl-1H-indole-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
PubChem CID124971061
Molecular FormulaC27H26N4O2
Molecular Weight438.53 g/mol
Exact Mass438.21
IUPAC Name(3R)-1-methyl-4-(6-methyl-1H-indole-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
SMILESCc1ccc2cc(C(=O)N3CCN(C)C(=O)[C@H]3Cc3ccc(-c4cccnc4)cc3)[nH]c2c1
InChIInChI=1S/C27H26N4O2/c1-18-5-8-21-16-24(29-23(21)14-18)26(32)31-13-12-30(2)27(33)25(31)15-19-6-9-20(10-7-19)22-4-3-11-28-17-22/h3-11,14,16-17,25,29H,12-13,15H2,1-2H3/t25-/m1/s1
InChIKeyJUFZITPGQQQRRR-RUZDIDTESA-N
XLogP4.06
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-1-methyl-4-(6-methyl-1H-indole-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one with MolForge

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Related Compounds

(3R)-1-methyl-4-(2-methyl-1-benzofuran-5-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 125025764
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CID 126417175
(3R)-1-methyl-4-(pyrazine-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
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(6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95290652
4-(cyclobutanecarbonyl)-1-propyl-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 110250581
1-ethyl-4-[2-(4-methoxyphenyl)acetyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 110250576
4-[3-(5-methylpyrazol-1-yl)propanoyl]-1-propyl-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 110250582
1-ethyl-4-[2-(3-methoxyphenyl)acetyl]-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 110250573
4-[2-(4-fluorophenyl)acetyl]-1-methyl-3-[(3-pyridin-4-ylphenyl)methyl]piperazin-2-one
CID 110088259
(3S)-1-ethyl-4-(5-methylthiophene-2-carbonyl)-3-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-one
CID 95812039
(6-methyl-1H-indol-2-yl)-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95569629
(4-fluorophenyl)-[1-[2-[1-(6-methyl-1H-indole-2-carbonyl)-5-pyridin-3-ylpyrrolidin-2-yl]ethyl]piperidin-4-yl]methanone
CID 77421327

Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-4-(6-methyl-1H-indole-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one?
The IUPAC name of (3R)-1-methyl-4-(6-methyl-1H-indole-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one (CID 124971061) is (3R)-1-methyl-4-(6-methyl-1H-indole-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for (3R)-1-methyl-4-(6-methyl-1H-indole-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one?
The canonical SMILES for (3R)-1-methyl-4-(6-methyl-1H-indole-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one is Cc1ccc2cc(C(=O)N3CCN(C)C(=O)[C@H]3Cc3ccc(-c4cccnc4)cc3)[nH]c2c1.
What is the InChIKey of (3R)-1-methyl-4-(6-methyl-1H-indole-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one?
The InChIKey is JUFZITPGQQQRRR-RUZDIDTESA-N. The full InChI is InChI=1S/C27H26N4O2/c1-18-5-8-21-16-24(29-23(21)14-18)26(32)31-13-12-30(2)27(33)25(31)15-19-6-9-20(10-7-19)22-4-3-11-28-17-22/h3-11,14,16-17,25,29H,12-13,15H2,1-2H3/t25-/m1/s1.
What are the key properties of (3R)-1-methyl-4-(6-methyl-1H-indole-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one?
(3R)-1-methyl-4-(6-methyl-1H-indole-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one has a molecular weight of 438.53 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-4-(6-methyl-1H-indole-2-carbonyl)-3-[(4-pyridin-3-ylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 124971061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).