N-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide

C18H25N3O2 — CID 95229107

IUPACN-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCOc1ccc2[nH]c(CN3CC[C@@H](CNC(C)=O)C3)c(C)c2c1
InChIInChI=1S/C18H25N3O2/c1-12-16-8-15(23-3)4-5-17(16)20-18(12)11-21-7-6-14(10-21)9-19-13(2)22/h4-5,8,14,20H,6-7,9-11H2,1-3H3,(H,19,22)/t14-/m0/s1
InChIKeyDWVGNKHSTRRCQY-AWEZNQCLSA-N
MW315.42 g/mol
LogP2.44
Rot. Bonds5

About N-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide

N-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide (PubChem CID 95229107) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
PubChem CID95229107
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
SMILESCOc1ccc2[nH]c(CN3CC[C@@H](CNC(C)=O)C3)c(C)c2c1
InChIInChI=1S/C18H25N3O2/c1-12-16-8-15(23-3)4-5-17(16)20-18(12)11-21-7-6-14(10-21)9-19-13(2)22/h4-5,8,14,20H,6-7,9-11H2,1-3H3,(H,19,22)/t14-/m0/s1
InChIKeyDWVGNKHSTRRCQY-AWEZNQCLSA-N
XLogP2.44
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide 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

(3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol
CID 45244684
5-methoxy-2-[[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]methyl]-3-methyl-1H-indole
CID 74241751
N-[[1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-4-yl]methyl]acetamide
CID 103917998
formic acid;(3S,4S)-4-methoxy-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-ol
CID 154909128
N-[[(3S)-1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 95212657
N-[[(3R)-1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]-1H-1,2,4-triazole-5-carboxamide
CID 95212656
N-[[1-[(3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridazine-3-carboxamide
CID 56709660
5-methoxy-3-methyl-2-[[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl]-1H-indole
CID 99931901
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]acetamide
CID 110640530
N-[[1-[(5-chloro-2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 56704279
2-[1-[(3,4-difluorophenyl)methyl]-4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]piperazin-2-yl]ethanol
CID 45215915
4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine
CID 74237359

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide (CID 95229107) is N-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide is COc1ccc2[nH]c(CN3CC[C@@H](CNC(C)=O)C3)c(C)c2c1.
What is the InChIKey of N-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
The InChIKey is DWVGNKHSTRRCQY-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-16-8-15(23-3)4-5-17(16)20-18(12)11-21-7-6-14(10-21)9-19-13(2)22/h4-5,8,14,20H,6-7,9-11H2,1-3H3,(H,19,22)/t14-/m0/s1.
What are the key properties of N-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide?
N-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide has a molecular weight of 315.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]pyrrolidin-3-yl]methyl]acetamide is sourced from PubChem (CID 95229107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).