benzyl N-[(1S)-1-(2H-indol-3-yl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate

C23H27N3O2 — CID 97295322

IUPACbenzyl N-[(1S)-1-(2H-indol-3-yl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)[C@H](CN1CCCC1)C1=c2ccccc2=NC1
InChIInChI=1S/C23H27N3O2/c1-25(23(27)28-17-18-9-3-2-4-10-18)22(16-26-13-7-8-14-26)20-15-24-21-12-6-5-11-19(20)21/h2-6,9-12,22H,7-8,13-17H2,1H3/t22-/m1/s1
InChIKeySFVXMMJLIVMIOW-JOCHJYFZSA-N
MW377.49 g/mol
LogP2.20
Rot. Bonds6

About benzyl N-[(1S)-1-(2H-indol-3-yl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate

benzyl N-[(1S)-1-(2H-indol-3-yl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate (PubChem CID 97295322) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is benzyl N-[(1S)-1-(2H-indol-3-yl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-1-(2H-indol-3-yl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate
PubChem CID97295322
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Namebenzyl N-[(1S)-1-(2H-indol-3-yl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate
SMILESCN(C(=O)OCc1ccccc1)[C@H](CN1CCCC1)C1=c2ccccc2=NC1
InChIInChI=1S/C23H27N3O2/c1-25(23(27)28-17-18-9-3-2-4-10-18)22(16-26-13-7-8-14-26)20-15-24-21-12-6-5-11-19(20)21/h2-6,9-12,22H,7-8,13-17H2,1H3/t22-/m1/s1
InChIKeySFVXMMJLIVMIOW-JOCHJYFZSA-N
XLogP2.20
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-methyl-N-[1-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]carbamate
CID 2760536
benzyl N-methyl-N-[(1S)-1-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]carbamate
CID 7022446
benzyl N-[(1S)-1-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate
CID 7022442
benzyl N-methyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)carbamate
CID 4712732
benzyl N-(3,3-dimethyl-1-pyrrolidin-1-ylbutan-2-yl)-N-methylcarbamate
CID 2758653
benzyl N-methyl-N-[1-(1-methylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-2-yl]carbamate
CID 2769576
benzyl 3-(azocan-1-yl)-2-methylpropanoate
CID 106484232
benzyl N-[(1S)-1-cyclopentyl-2-oxopropyl]-N-methylcarbamate
CID 167560867
N-methyl-2-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)acetamide
CID 3298213
N-methyl-2-phenyl-N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 86268656
benzyl 3-amino-3-hydroxy-2-(piperidin-1-ylmethyl)propanoate
CID 154447907
ethane;N-methyl-2-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]acetamide
CID 91275660

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-1-(2H-indol-3-yl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate?
The IUPAC name of benzyl N-[(1S)-1-(2H-indol-3-yl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate (CID 97295322) is benzyl N-[(1S)-1-(2H-indol-3-yl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate.
What is the SMILES notation for benzyl N-[(1S)-1-(2H-indol-3-yl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate?
The canonical SMILES for benzyl N-[(1S)-1-(2H-indol-3-yl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate is CN(C(=O)OCc1ccccc1)[C@H](CN1CCCC1)C1=c2ccccc2=NC1.
What is the InChIKey of benzyl N-[(1S)-1-(2H-indol-3-yl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate?
The InChIKey is SFVXMMJLIVMIOW-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-25(23(27)28-17-18-9-3-2-4-10-18)22(16-26-13-7-8-14-26)20-15-24-21-12-6-5-11-19(20)21/h2-6,9-12,22H,7-8,13-17H2,1H3/t22-/m1/s1.
What are the key properties of benzyl N-[(1S)-1-(2H-indol-3-yl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate?
benzyl N-[(1S)-1-(2H-indol-3-yl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate has a molecular weight of 377.49 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-1-(2H-indol-3-yl)-2-pyrrolidin-1-ylethyl]-N-methylcarbamate is sourced from PubChem (CID 97295322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).