(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C21H29N3O2 — CID 97123700

IUPAC(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3CN3CCOCC3)c(C)c2c1
InChIInChI=1S/C21H29N3O2/c1-15-6-7-19-18(13-15)16(2)20(22-19)21(25)24-8-4-3-5-17(24)14-23-9-11-26-12-10-23/h6-7,13,17,22H,3-5,8-12,14H2,1-2H3/t17-/m1/s1
InChIKeyYRXCFFUCHGQRQN-QGZVFWFLSA-N
MW355.48 g/mol
LogP3.11
Rot. Bonds3

About (3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 97123700) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is (3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID97123700
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3CN3CCOCC3)c(C)c2c1
InChIInChI=1S/C21H29N3O2/c1-15-6-7-19-18(13-15)16(2)20(22-19)21(25)24-8-4-3-5-17(24)14-23-9-11-26-12-10-23/h6-7,13,17,22H,3-5,8-12,14H2,1-2H3/t17-/m1/s1
InChIKeyYRXCFFUCHGQRQN-QGZVFWFLSA-N
XLogP3.11
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 97148859
2-(2,5-dimethyl-1H-indol-3-yl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 92560101
1-[3,5-dimethyl-4-[(2R)-2-(morpholin-4-ylmethyl)piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone
CID 96573203
(5-amino-2-methylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 120646100
(3,5-dimethyl-1H-indol-2-yl)-[2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 70717996
[2-(morpholin-4-ylmethyl)piperidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 70717304
(3,5-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 95348718
2-(6-methyl-1-benzofuran-3-yl)-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 51504317
(3,4-dimethoxyphenyl)-[(2R)-2-(morpholin-4-ylmethyl)azepan-1-yl]methanone
CID 164638183
(5-methoxy-3-methyl-1H-indol-2-yl)-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 74238881
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 99974262
(2-methylsulfanylphenyl)-[2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 70768311

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 97123700) is (3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3CN3CCOCC3)c(C)c2c1.
What is the InChIKey of (3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is YRXCFFUCHGQRQN-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-15-6-7-19-18(13-15)16(2)20(22-19)21(25)24-8-4-3-5-17(24)14-23-9-11-26-12-10-23/h6-7,13,17,22H,3-5,8-12,14H2,1-2H3/t17-/m1/s1.
What are the key properties of (3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 355.48 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97123700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).