tert-butyl N-[2-[4-[[6-cyano-1-(2-phenylethyl)indole-2-carbonyl]amino]piperidin-1-yl]ethyl]carbamate

C30H37N5O3 — CID 151702001

About tert-butyl N-[2-[4-[[6-cyano-1-(2-phenylethyl)indole-2-carbonyl]amino]piperidin-1-yl]ethyl]carbamate

tert-butyl N-[2-[4-[[6-cyano-1-(2-phenylethyl)indole-2-carbonyl]amino]piperidin-1-yl]ethyl]carbamate (PubChem CID 151702001) has the molecular formula C30H37N5O3 and a molecular weight of 515.66 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[[6-cyano-1-(2-phenylethyl)indole-2-carbonyl]amino]piperidin-1-yl]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[4-[[6-cyano-1-(2-phenylethyl)indole-2-carbonyl]amino]piperidin-1-yl]ethyl]carbamate
• PubChem CID: 151702001
• Molecular Formula: C30H37N5O3
• Molecular Weight: 515.66 g/mol
• Exact Mass: 515.29
• IUPAC Name: tert-butyl N-[2-[4-[[6-cyano-1-(2-phenylethyl)indole-2-carbonyl]amino]piperidin-1-yl]ethyl]carbamate
• SMILES: CC(C)(C)OC(=O)NCCN1CCC(NC(=O)c2cc3ccc(C#N)cc3n2CCc2ccccc2)CC1
• InChI: InChI=1S/C30H37N5O3/c1-30(2,3)38-29(37)32-14-18-34-15-12-25(13-16-34)33-28(36)27-20-24-10-9-23(21-31)19-26(24)35(27)17-11-22-7-5-4-6-8-22/h4-10,19-20,25H,11-18H2,1-3H3,(H,32,37)(H,33,36)
• InChIKey: REUOICLAMIEKAC-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 99.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.66
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-[[6-cyano-1-(2-phenylethyl)indole-2-carbonyl]amino]piperidin-1-yl]ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[4-[[6-cyano-1-(2-phenylethyl)indole-2-carbonyl]amino]piperidin-1-yl]ethyl]carbamate (CID 151702001) is tert-butyl N-[2-[4-[[6-cyano-1-(2-phenylethyl)indole-2-carbonyl]amino]piperidin-1-yl]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[4-[[6-cyano-1-(2-phenylethyl)indole-2-carbonyl]amino]piperidin-1-yl]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[4-[[6-cyano-1-(2-phenylethyl)indole-2-carbonyl]amino]piperidin-1-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCN1CCC(NC(=O)c2cc3ccc(C#N)cc3n2CCc2ccccc2)CC1.

What is the InChIKey of tert-butyl N-[2-[4-[[6-cyano-1-(2-phenylethyl)indole-2-carbonyl]amino]piperidin-1-yl]ethyl]carbamate?

The InChIKey is REUOICLAMIEKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O3/c1-30(2,3)38-29(37)32-14-18-34-15-12-25(13-16-34)33-28(36)27-20-24-10-9-23(21-31)19-26(24)35(27)17-11-22-7-5-4-6-8-22/h4-10,19-20,25H,11-18H2,1-3H3,(H,32,37)(H,33,36).

What are the key properties of tert-butyl N-[2-[4-[[6-cyano-1-(2-phenylethyl)indole-2-carbonyl]amino]piperidin-1-yl]ethyl]carbamate?

tert-butyl N-[2-[4-[[6-cyano-1-(2-phenylethyl)indole-2-carbonyl]amino]piperidin-1-yl]ethyl]carbamate has a molecular weight of 515.66 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[4-[[6-cyano-1-(2-phenylethyl)indole-2-carbonyl]amino]piperidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 151702001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).