ethyl N-[(3S)-1-(1'-methyl-2'-oxospiro[cyclohexane-4,3'-indole]-1-yl)pyrrolidin-3-yl]carbamate

C21H29N3O3 — CID 134439134

IUPACethyl N-[(3S)-1-(1'-methyl-2'-oxospiro[cyclohexane-4,3'-indole]-1-yl)pyrrolidin-3-yl]carbamate
SMILESCCOC(=O)N[C@H]1CCN(C2CCC3(CC2)C(=O)N(C)c2ccccc23)C1
InChIInChI=1S/C21H29N3O3/c1-3-27-20(26)22-15-10-13-24(14-15)16-8-11-21(12-9-16)17-6-4-5-7-18(17)23(2)19(21)25/h4-7,15-16H,3,8-14H2,1-2H3,(H,22,26)/t15-,16?,21?/m0/s1
InChIKeyBNKACRSSXXBRRH-FQWCMUAHSA-N
MW371.48 g/mol
LogP2.66
Rot. Bonds3

About ethyl N-[(3S)-1-(1'-methyl-2'-oxospiro[cyclohexane-4,3'-indole]-1-yl)pyrrolidin-3-yl]carbamate

ethyl N-[(3S)-1-(1'-methyl-2'-oxospiro[cyclohexane-4,3'-indole]-1-yl)pyrrolidin-3-yl]carbamate (PubChem CID 134439134) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is ethyl N-[(3S)-1-(1'-methyl-2'-oxospiro[cyclohexane-4,3'-indole]-1-yl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[(3S)-1-(1'-methyl-2'-oxospiro[cyclohexane-4,3'-indole]-1-yl)pyrrolidin-3-yl]carbamate
PubChem CID134439134
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Nameethyl N-[(3S)-1-(1'-methyl-2'-oxospiro[cyclohexane-4,3'-indole]-1-yl)pyrrolidin-3-yl]carbamate
SMILESCCOC(=O)N[C@H]1CCN(C2CCC3(CC2)C(=O)N(C)c2ccccc23)C1
InChIInChI=1S/C21H29N3O3/c1-3-27-20(26)22-15-10-13-24(14-15)16-8-11-21(12-9-16)17-6-4-5-7-18(17)23(2)19(21)25/h4-7,15-16H,3,8-14H2,1-2H3,(H,22,26)/t15-,16?,21?/m0/s1
InChIKeyBNKACRSSXXBRRH-FQWCMUAHSA-N
XLogP2.66
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl N-[(3S)-1-(1'-methyl-2'-oxospiro[cyclohexane-4,3'-indole]-1-yl)pyrrolidin-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[1-(5-methoxy-2-oxospiro[1H-pyrrolo[2,3-c]pyridine-3,4'-cyclohexane]-1'-yl)pyrrolidin-3-yl]carbamate
CID 134439013
ethyl N-(1-cyclopropylpiperidin-4-yl)carbamate
CID 60709264
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
ethyl N-[[1-(2-oxospiro[1H-indole-3,4'-cyclohexane]-1'-yl)piperidin-4-yl]methyl]carbamate
CID 134431901
[(3S)-1-[1'-(2-amino-2-oxoethyl)-2'-oxospiro[cyclohexane-4,3'-indole]-1-yl]pyrrolidin-3-yl]-ethylcarbamic acid
CID 166720999
ethyl 2-benzyl-3-(1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-yl)propanoate
CID 69266254
1'-(3-methoxypropanoyl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 91914352
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
ethyl N-(1-methylpyrrolidin-3-yl)carbamate
CID 61355543
N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 53177203
(3S)-N-ethyl-1-methyl-2-oxospiro[indole-3,3'-pyrrolidine]-1'-carboxamide
CID 95104040

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(3S)-1-(1'-methyl-2'-oxospiro[cyclohexane-4,3'-indole]-1-yl)pyrrolidin-3-yl]carbamate?
The IUPAC name of ethyl N-[(3S)-1-(1'-methyl-2'-oxospiro[cyclohexane-4,3'-indole]-1-yl)pyrrolidin-3-yl]carbamate (CID 134439134) is ethyl N-[(3S)-1-(1'-methyl-2'-oxospiro[cyclohexane-4,3'-indole]-1-yl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[(3S)-1-(1'-methyl-2'-oxospiro[cyclohexane-4,3'-indole]-1-yl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[(3S)-1-(1'-methyl-2'-oxospiro[cyclohexane-4,3'-indole]-1-yl)pyrrolidin-3-yl]carbamate is CCOC(=O)N[C@H]1CCN(C2CCC3(CC2)C(=O)N(C)c2ccccc23)C1.
What is the InChIKey of ethyl N-[(3S)-1-(1'-methyl-2'-oxospiro[cyclohexane-4,3'-indole]-1-yl)pyrrolidin-3-yl]carbamate?
The InChIKey is BNKACRSSXXBRRH-FQWCMUAHSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-3-27-20(26)22-15-10-13-24(14-15)16-8-11-21(12-9-16)17-6-4-5-7-18(17)23(2)19(21)25/h4-7,15-16H,3,8-14H2,1-2H3,(H,22,26)/t15-,16?,21?/m0/s1.
What are the key properties of ethyl N-[(3S)-1-(1'-methyl-2'-oxospiro[cyclohexane-4,3'-indole]-1-yl)pyrrolidin-3-yl]carbamate?
ethyl N-[(3S)-1-(1'-methyl-2'-oxospiro[cyclohexane-4,3'-indole]-1-yl)pyrrolidin-3-yl]carbamate has a molecular weight of 371.48 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(3S)-1-(1'-methyl-2'-oxospiro[cyclohexane-4,3'-indole]-1-yl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 134439134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).