[4-[(1-methylindol-7-yl)methyl]piperazin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone

C20H28N4O — CID 141338525

IUPAC[4-[(1-methylindol-7-yl)methyl]piperazin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
SMILESCN1CCC[C@H]1C(=O)N1CCN(Cc2cccc3ccn(C)c23)CC1
InChIInChI=1S/C20H28N4O/c1-21-9-4-7-18(21)20(25)24-13-11-23(12-14-24)15-17-6-3-5-16-8-10-22(2)19(16)17/h3,5-6,8,10,18H,4,7,9,11-15H2,1-2H3/t18-/m0/s1
InChIKeyQLBHZQJSVDTMEX-SFHVURJKSA-N
MW340.47 g/mol
LogP1.92
Rot. Bonds3

About [4-[(1-methylindol-7-yl)methyl]piperazin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone

[4-[(1-methylindol-7-yl)methyl]piperazin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone (PubChem CID 141338525) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is [4-[(1-methylindol-7-yl)methyl]piperazin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[4-[(1-methylindol-7-yl)methyl]piperazin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
PubChem CID141338525
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name[4-[(1-methylindol-7-yl)methyl]piperazin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
SMILESCN1CCC[C@H]1C(=O)N1CCN(Cc2cccc3ccn(C)c23)CC1
InChIInChI=1S/C20H28N4O/c1-21-9-4-7-18(21)20(25)24-13-11-23(12-14-24)15-17-6-3-5-16-8-10-22(2)19(16)17/h3,5-6,8,10,18H,4,7,9,11-15H2,1-2H3/t18-/m0/s1
InChIKeyQLBHZQJSVDTMEX-SFHVURJKSA-N
XLogP1.92
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-tert-butyl-2-methoxy-3-[[1-methyl-7-[[4-[(2S)-1-methylpyrrolidine-2-carbonyl]piperazin-1-yl]methyl]indole-2-carbonyl]amino]benzoic acid
CID 58493963
[1-methyl-7-[[4-[(2S)-1-methylpyrrolidine-2-carbonyl]piperazin-1-yl]methyl]indol-2-yl] N-(5-tert-butyl-3-formyl-2-methoxyphenyl)carbamate
CID 87142181
N-[3-[(4-butan-2-ylpiperidin-1-yl)methyl]-5-tert-butyl-2-methoxyphenyl]-1-methyl-7-[[4-[(2S)-1-methylpyrrolidine-2-carbonyl]piperazin-1-yl]methyl]indole-2-carboxamide
CID 143951422
methyl 5-[[4-(1-methylpyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate
CID 3345183
[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 120901470
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(1-methylazepan-2-yl)methanone
CID 70769121
1-[4-[4-(naphthalen-1-ylmethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9397930
[4-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]piperazin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
CID 129481889
[4-[(1-benzoylpyrrolidin-3-yl)methyl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 127265903
azepan-1-yl-(1-methylpyrrolidin-2-yl)methanone
CID 110856335
cyclobutyl-[4-(naphthalen-1-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 171329068
N-[(2-ethoxyphenyl)methyl]-4-(1-methylpyrrolidine-2-carbonyl)piperazine-1-carboxamide
CID 138044085

Frequently Asked Questions

What is the IUPAC name of [4-[(1-methylindol-7-yl)methyl]piperazin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone?
The IUPAC name of [4-[(1-methylindol-7-yl)methyl]piperazin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone (CID 141338525) is [4-[(1-methylindol-7-yl)methyl]piperazin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone.
What is the SMILES notation for [4-[(1-methylindol-7-yl)methyl]piperazin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone?
The canonical SMILES for [4-[(1-methylindol-7-yl)methyl]piperazin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone is CN1CCC[C@H]1C(=O)N1CCN(Cc2cccc3ccn(C)c23)CC1.
What is the InChIKey of [4-[(1-methylindol-7-yl)methyl]piperazin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone?
The InChIKey is QLBHZQJSVDTMEX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H28N4O/c1-21-9-4-7-18(21)20(25)24-13-11-23(12-14-24)15-17-6-3-5-16-8-10-22(2)19(16)17/h3,5-6,8,10,18H,4,7,9,11-15H2,1-2H3/t18-/m0/s1.
What are the key properties of [4-[(1-methylindol-7-yl)methyl]piperazin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone?
[4-[(1-methylindol-7-yl)methyl]piperazin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone has a molecular weight of 340.47 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methylindol-7-yl)methyl]piperazin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 141338525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).