(2R)-N-benzyl-2-[3-(1H-indol-3-ylmethyl)piperazin-1-yl]-N-methyl-3-phenylpropanamide

C30H34N4O — CID 67711601

IUPAC(2R)-N-benzyl-2-[3-(1H-indol-3-ylmethyl)piperazin-1-yl]-N-methyl-3-phenylpropanamide
SMILESCN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)N1CCNC(Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C30H34N4O/c1-33(21-24-12-6-3-7-13-24)30(35)29(18-23-10-4-2-5-11-23)34-17-16-31-26(22-34)19-25-20-32-28-15-9-8-14-27(25)28/h2-15,20,26,29,31-32H,16-19,21-22H2,1H3/t26?,29-/m1/s1
InChIKeyGJIGSXWNZQOBAQ-BNGNXUGRSA-N
MW466.63 g/mol
LogP4.25
Rot. Bonds8

About (2R)-N-benzyl-2-[3-(1H-indol-3-ylmethyl)piperazin-1-yl]-N-methyl-3-phenylpropanamide

(2R)-N-benzyl-2-[3-(1H-indol-3-ylmethyl)piperazin-1-yl]-N-methyl-3-phenylpropanamide (PubChem CID 67711601) has the molecular formula C30H34N4O and a molecular weight of 466.63 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[3-(1H-indol-3-ylmethyl)piperazin-1-yl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[3-(1H-indol-3-ylmethyl)piperazin-1-yl]-N-methyl-3-phenylpropanamide
PubChem CID67711601
Molecular FormulaC30H34N4O
Molecular Weight466.63 g/mol
Exact Mass466.27
IUPAC Name(2R)-N-benzyl-2-[3-(1H-indol-3-ylmethyl)piperazin-1-yl]-N-methyl-3-phenylpropanamide
SMILESCN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)N1CCNC(Cc2c[nH]c3ccccc23)C1
InChIInChI=1S/C30H34N4O/c1-33(21-24-12-6-3-7-13-24)30(35)29(18-23-10-4-2-5-11-23)34-17-16-31-26(22-34)19-25-20-32-28-15-9-8-14-27(25)28/h2-15,20,26,29,31-32H,16-19,21-22H2,1H3/t26?,29-/m1/s1
InChIKeyGJIGSXWNZQOBAQ-BNGNXUGRSA-N
XLogP4.25
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[benzyl(methyl)amino]-3-phenylpropan-2-yl]-3-(1H-indol-3-ylmethyl)piperazin-2-one
CID 22906956
2-acetamido-N-benzyl-3-(1H-indol-3-yl)-N-methylpropanamide
CID 10736544
N-[3-(1H-indol-3-yl)-1-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55650442
N-[(2S)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-carboxamide
CID 22942293
2-(1H-indol-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 43429962
3-(1H-indol-3-yl)-1-[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]propan-1-one
CID 45212669
N-[(2R)-1-[benzyl(methyl)amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]quinoline-3-carboxamide
CID 15104627
2-[5-(1H-indol-3-ylmethyl)-2-oxopiperazin-1-yl]acetic acid
CID 54085980
[(2S)-1-(dimethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]azanium chloride
CID 10516015
benzyl N-[(2S)-3-(1H-indol-3-yl)-1-[(4-methoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]carbamate
CID 24547191
3-[[(2S)-piperazin-2-yl]methyl]-1H-indole
CID 59208274
3-(1H-indol-3-yl)-2-(3-propylazetidin-1-yl)propanoic acid
CID 79690011

Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-[3-(1H-indol-3-ylmethyl)piperazin-1-yl]-N-methyl-3-phenylpropanamide?
The IUPAC name of (2R)-N-benzyl-2-[3-(1H-indol-3-ylmethyl)piperazin-1-yl]-N-methyl-3-phenylpropanamide (CID 67711601) is (2R)-N-benzyl-2-[3-(1H-indol-3-ylmethyl)piperazin-1-yl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (2R)-N-benzyl-2-[3-(1H-indol-3-ylmethyl)piperazin-1-yl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for (2R)-N-benzyl-2-[3-(1H-indol-3-ylmethyl)piperazin-1-yl]-N-methyl-3-phenylpropanamide is CN(Cc1ccccc1)C(=O)[C@@H](Cc1ccccc1)N1CCNC(Cc2c[nH]c3ccccc23)C1.
What is the InChIKey of (2R)-N-benzyl-2-[3-(1H-indol-3-ylmethyl)piperazin-1-yl]-N-methyl-3-phenylpropanamide?
The InChIKey is GJIGSXWNZQOBAQ-BNGNXUGRSA-N. The full InChI is InChI=1S/C30H34N4O/c1-33(21-24-12-6-3-7-13-24)30(35)29(18-23-10-4-2-5-11-23)34-17-16-31-26(22-34)19-25-20-32-28-15-9-8-14-27(25)28/h2-15,20,26,29,31-32H,16-19,21-22H2,1H3/t26?,29-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-[3-(1H-indol-3-ylmethyl)piperazin-1-yl]-N-methyl-3-phenylpropanamide?
(2R)-N-benzyl-2-[3-(1H-indol-3-ylmethyl)piperazin-1-yl]-N-methyl-3-phenylpropanamide has a molecular weight of 466.63 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-[3-(1H-indol-3-ylmethyl)piperazin-1-yl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 67711601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).