(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]propanamide

C25H35ClN4O2 — CID 93061052

About (2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]propanamide

(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]propanamide (PubChem CID 93061052) has the molecular formula C25H35ClN4O2 and a molecular weight of 459.03 g/mol. Its IUPAC name is (2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: (2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]propanamide
• PubChem CID: 93061052
• Molecular Formula: C25H35ClN4O2
• Molecular Weight: 459.03 g/mol
• Exact Mass: 458.24
• IUPAC Name: (2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]propanamide
• SMILES: C[C@H](C(=O)NCCN1CCCC[C@@H]1C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1
• InChI: InChI=1S/C25H35ClN4O2/c1-17-5-3-4-11-29(17)14-10-27-24(31)18(2)19-8-12-30(13-9-19)25(32)23-16-20-15-21(26)6-7-22(20)28-23/h6-7,15-19,28H,3-5,8-14H2,1-2H3,(H,27,31)/t17-,18-/m0/s1
• InChIKey: YFVNZYNFFOSIJQ-ROUUACIJSA-N
• XLogP: 4.30
• TPSA: 68.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.03
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]propanamide?

The IUPAC name of (2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]propanamide (CID 93061052) is (2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]propanamide.

What is the SMILES notation for (2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]propanamide?

The canonical SMILES for (2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]propanamide is C[C@H](C(=O)NCCN1CCCC[C@@H]1C)C1CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CC1.

What is the InChIKey of (2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]propanamide?

The InChIKey is YFVNZYNFFOSIJQ-ROUUACIJSA-N. The full InChI is InChI=1S/C25H35ClN4O2/c1-17-5-3-4-11-29(17)14-10-27-24(31)18(2)19-8-12-30(13-9-19)25(32)23-16-20-15-21(26)6-7-22(20)28-23/h6-7,15-19,28H,3-5,8-14H2,1-2H3,(H,27,31)/t17-,18-/m0/s1.

What are the key properties of (2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]propanamide?

(2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]propanamide has a molecular weight of 459.03 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[1-(5-chloro-1H-indole-2-carbonyl)piperidin-4-yl]-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]propanamide is sourced from PubChem (CID 93061052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).