(3S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide

C24H25ClN4O2 — CID 95050474

About (3S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide

(3S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide (PubChem CID 95050474) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is (3S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
• PubChem CID: 95050474
• Molecular Formula: C24H25ClN4O2
• Molecular Weight: 436.94 g/mol
• Exact Mass: 436.17
• IUPAC Name: (3S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide
• SMILES: Cc1ccccc1Oc1nccnc1N1CCC[C@H](C(=O)NCc2cccc(Cl)c2)C1
• InChI: InChI=1S/C24H25ClN4O2/c1-17-6-2-3-10-21(17)31-24-22(26-11-12-27-24)29-13-5-8-19(16-29)23(30)28-15-18-7-4-9-20(25)14-18/h2-4,6-7,9-12,14,19H,5,8,13,15-16H2,1H3,(H,28,30)/t19-/m0/s1
• InChIKey: CESPADWUMJBMTP-IBGZPJMESA-N
• XLogP: 4.76
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.94
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?

The IUPAC name of (3S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide (CID 95050474) is (3S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide.

What is the SMILES notation for (3S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?

The canonical SMILES for (3S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide is Cc1ccccc1Oc1nccnc1N1CCC[C@H](C(=O)NCc2cccc(Cl)c2)C1.

What is the InChIKey of (3S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?

The InChIKey is CESPADWUMJBMTP-IBGZPJMESA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-17-6-2-3-10-21(17)31-24-22(26-11-12-27-24)29-13-5-8-19(16-29)23(30)28-15-18-7-4-9-20(25)14-18/h2-4,6-7,9-12,14,19H,5,8,13,15-16H2,1H3,(H,28,30)/t19-/m0/s1.

What are the key properties of (3S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide?

(3S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide has a molecular weight of 436.94 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-N-[(3-chlorophenyl)methyl]-1-[3-(2-methylphenoxy)pyrazin-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95050474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).