(2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide

C20H23N5O — CID 98900942

IUPAC(2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
SMILESCc1nccc(CNC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C20H23N5O/c1-14-21-10-9-16(23-14)13-22-20(26)25-11-5-4-8-19(25)18-12-15-6-2-3-7-17(15)24-18/h2-3,6-7,9-10,12,19,24H,4-5,8,11,13H2,1H3,(H,22,26)/t19-/m1/s1
InChIKeyNVQMJGGRKLPJEO-LJQANCHMSA-N
MW349.44 g/mol
LogP3.70
Rot. Bonds3

About (2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide

(2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide (PubChem CID 98900942) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
PubChem CID98900942
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
SMILESCc1nccc(CNC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C20H23N5O/c1-14-21-10-9-16(23-14)13-22-20(26)25-11-5-4-8-19(25)18-12-15-6-2-3-7-17(15)24-18/h2-3,6-7,9-10,12,19,24H,4-5,8,11,13H2,1H3,(H,22,26)/t19-/m1/s1
InChIKeyNVQMJGGRKLPJEO-LJQANCHMSA-N
XLogP3.70
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 47328498
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]azepane-1-carboxamide
CID 75501107
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1H-indol-2-yl)piperidine-1-carboxamide
CID 154757998
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113088993
N-(4-hydroxycyclohexyl)-2-(1H-indol-2-yl)piperidine-1-carboxamide
CID 111109545
1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113089000
1-[(2R)-2-(1H-indol-2-yl)piperidin-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 95616938
2-[2-(1H-indol-2-yl)piperidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055616
[2-(1H-indol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 113089008
3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107071555
2-(2-hydroxy-2-phenylethyl)-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-1-carboxamide
CID 71868512
[2-(1H-indol-2-yl)piperidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119776657

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of (2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide (CID 98900942) is (2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide is Cc1nccc(CNC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)n1.
What is the InChIKey of (2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide?
The InChIKey is NVQMJGGRKLPJEO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-21-10-9-16(23-14)13-22-20(26)25-11-5-4-8-19(25)18-12-15-6-2-3-7-17(15)24-18/h2-3,6-7,9-10,12,19,24H,4-5,8,11,13H2,1H3,(H,22,26)/t19-/m1/s1.
What are the key properties of (2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide?
(2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1H-indol-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 98900942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).