(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide

C26H27N5O — CID 25302072

About (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide

(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 25302072) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
• PubChem CID: 25302072
• Molecular Formula: C26H27N5O
• Molecular Weight: 425.54 g/mol
• Exact Mass: 425.22
• IUPAC Name: (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide
• SMILES: Cc1ncc(CN2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1
• InChI: InChI=1S/C26H27N5O/c1-18-27-14-19(15-28-18)16-31-11-5-8-22(17-31)26(32)29-23-9-4-7-20(12-23)25-13-21-6-2-3-10-24(21)30-25/h2-4,6-7,9-10,12-15,22,30H,5,8,11,16-17H2,1H3,(H,29,32)/t22-/m0/s1
• InChIKey: IUJJQVMZDBVPHR-QFIPXVFZSA-N
• XLogP: 4.78
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.54
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?

The IUPAC name of (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide (CID 25302072) is (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide is Cc1ncc(CN2CCC[C@H](C(=O)Nc3cccc(-c4cc5ccccc5[nH]4)c3)C2)cn1.

What is the InChIKey of (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?

The InChIKey is IUJJQVMZDBVPHR-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H27N5O/c1-18-27-14-19(15-28-18)16-31-11-5-8-22(17-31)26(32)29-23-9-4-7-20(12-23)25-13-21-6-2-3-10-24(21)30-25/h2-4,6-7,9-10,12-15,22,30H,5,8,11,16-17H2,1H3,(H,29,32)/t22-/m0/s1.

What are the key properties of (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide?

(3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 425.54 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[3-(1H-indol-2-yl)phenyl]-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 25302072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).