2-amino-2-methyl-N-[3-(2-methyl-1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]propanamide

C27H34N4O2 — CID 21222170

IUPAC2-amino-2-methyl-N-[3-(2-methyl-1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]propanamide
SMILESCc1[nH]c2ccccc2c1CC(NC(=O)C(C)(C)N)C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C27H34N4O2/c1-18-22(21-11-7-8-12-23(21)29-18)17-24(30-26(33)27(2,3)28)25(32)31-15-13-20(14-16-31)19-9-5-4-6-10-19/h4-12,20,24,29H,13-17,28H2,1-3H3,(H,30,33)
InChIKeyZFCPHKZADVBOAO-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.65
Rot. Bonds6

About 2-amino-2-methyl-N-[3-(2-methyl-1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]propanamide

2-amino-2-methyl-N-[3-(2-methyl-1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]propanamide (PubChem CID 21222170) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 2-amino-2-methyl-N-[3-(2-methyl-1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Name2-amino-2-methyl-N-[3-(2-methyl-1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]propanamide
PubChem CID21222170
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name2-amino-2-methyl-N-[3-(2-methyl-1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]propanamide
SMILESCc1[nH]c2ccccc2c1CC(NC(=O)C(C)(C)N)C(=O)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C27H34N4O2/c1-18-22(21-11-7-8-12-23(21)29-18)17-24(30-26(33)27(2,3)28)25(32)31-15-13-20(14-16-31)19-9-5-4-6-10-19/h4-12,20,24,29H,13-17,28H2,1-3H3,(H,30,33)
InChIKeyZFCPHKZADVBOAO-UHFFFAOYSA-N
XLogP3.65
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-N-[3-(2-methyl-1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]propanamide?
The IUPAC name of 2-amino-2-methyl-N-[3-(2-methyl-1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]propanamide (CID 21222170) is 2-amino-2-methyl-N-[3-(2-methyl-1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]propanamide.
What is the SMILES notation for 2-amino-2-methyl-N-[3-(2-methyl-1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]propanamide?
The canonical SMILES for 2-amino-2-methyl-N-[3-(2-methyl-1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]propanamide is Cc1[nH]c2ccccc2c1CC(NC(=O)C(C)(C)N)C(=O)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-amino-2-methyl-N-[3-(2-methyl-1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]propanamide?
The InChIKey is ZFCPHKZADVBOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-18-22(21-11-7-8-12-23(21)29-18)17-24(30-26(33)27(2,3)28)25(32)31-15-13-20(14-16-31)19-9-5-4-6-10-19/h4-12,20,24,29H,13-17,28H2,1-3H3,(H,30,33).
What are the key properties of 2-amino-2-methyl-N-[3-(2-methyl-1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]propanamide?
2-amino-2-methyl-N-[3-(2-methyl-1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]propanamide has a molecular weight of 446.60 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-N-[3-(2-methyl-1H-indol-3-yl)-1-oxo-1-(4-phenylpiperidin-1-yl)propan-2-yl]propanamide is sourced from PubChem (CID 21222170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).