(2S)-N-[(1S)-1-cyano-3-[4-[3-(piperidine-1-carbonyl)phenyl]phenyl]propyl]piperidine-2-carboxamide;molecular hydrogen

C28H38N4O2 — CID 143817119

About (2S)-N-[(1S)-1-cyano-3-[4-[3-(piperidine-1-carbonyl)phenyl]phenyl]propyl]piperidine-2-carboxamide;molecular hydrogen

(2S)-N-[(1S)-1-cyano-3-[4-[3-(piperidine-1-carbonyl)phenyl]phenyl]propyl]piperidine-2-carboxamide;molecular hydrogen (PubChem CID 143817119) has the molecular formula C28H38N4O2 and a molecular weight of 462.64 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-cyano-3-[4-[3-(piperidine-1-carbonyl)phenyl]phenyl]propyl]piperidine-2-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: (2S)-N-[(1S)-1-cyano-3-[4-[3-(piperidine-1-carbonyl)phenyl]phenyl]propyl]piperidine-2-carboxamide;molecular hydrogen
• PubChem CID: 143817119
• Molecular Formula: C28H38N4O2
• Molecular Weight: 462.64 g/mol
• Exact Mass: 462.30
• IUPAC Name: (2S)-N-[(1S)-1-cyano-3-[4-[3-(piperidine-1-carbonyl)phenyl]phenyl]propyl]piperidine-2-carboxamide;molecular hydrogen
• SMILES: N#C[C@H](CCc1ccc(-c2cccc(C(=O)N3CCCCC3)c2)cc1)NC(=O)[C@@H]1CCCCN1.[H][H].[H][H]
• InChI: InChI=1S/C28H34N4O2.2H2/c29-20-25(31-27(33)26-9-2-3-16-30-26)15-12-21-10-13-22(14-11-21)23-7-6-8-24(19-23)28(34)32-17-4-1-5-18-32;;/h6-8,10-11,13-14,19,25-26,30H,1-5,9,12,15-18H2,(H,31,33);2*1H/t25-,26-;;/m0../s1
• InChIKey: SXUXWUXINRGXRV-HWTGJJCHSA-N
• XLogP: 4.55
• TPSA: 85.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.64
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-cyano-3-[4-[3-(piperidine-1-carbonyl)phenyl]phenyl]propyl]piperidine-2-carboxamide;molecular hydrogen?

The IUPAC name of (2S)-N-[(1S)-1-cyano-3-[4-[3-(piperidine-1-carbonyl)phenyl]phenyl]propyl]piperidine-2-carboxamide;molecular hydrogen (CID 143817119) is (2S)-N-[(1S)-1-cyano-3-[4-[3-(piperidine-1-carbonyl)phenyl]phenyl]propyl]piperidine-2-carboxamide;molecular hydrogen.

What is the SMILES notation for (2S)-N-[(1S)-1-cyano-3-[4-[3-(piperidine-1-carbonyl)phenyl]phenyl]propyl]piperidine-2-carboxamide;molecular hydrogen?

The canonical SMILES for (2S)-N-[(1S)-1-cyano-3-[4-[3-(piperidine-1-carbonyl)phenyl]phenyl]propyl]piperidine-2-carboxamide;molecular hydrogen is N#C[C@H](CCc1ccc(-c2cccc(C(=O)N3CCCCC3)c2)cc1)NC(=O)[C@@H]1CCCCN1.[H][H].[H][H].

What is the InChIKey of (2S)-N-[(1S)-1-cyano-3-[4-[3-(piperidine-1-carbonyl)phenyl]phenyl]propyl]piperidine-2-carboxamide;molecular hydrogen?

The InChIKey is SXUXWUXINRGXRV-HWTGJJCHSA-N. The full InChI is InChI=1S/C28H34N4O2.2H2/c29-20-25(31-27(33)26-9-2-3-16-30-26)15-12-21-10-13-22(14-11-21)23-7-6-8-24(19-23)28(34)32-17-4-1-5-18-32;;/h6-8,10-11,13-14,19,25-26,30H,1-5,9,12,15-18H2,(H,31,33);2*1H/t25-,26-;;/m0../s1.

What are the key properties of (2S)-N-[(1S)-1-cyano-3-[4-[3-(piperidine-1-carbonyl)phenyl]phenyl]propyl]piperidine-2-carboxamide;molecular hydrogen?

(2S)-N-[(1S)-1-cyano-3-[4-[3-(piperidine-1-carbonyl)phenyl]phenyl]propyl]piperidine-2-carboxamide;molecular hydrogen has a molecular weight of 462.64 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(1S)-1-cyano-3-[4-[3-(piperidine-1-carbonyl)phenyl]phenyl]propyl]piperidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 143817119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).