(6S)-1-benzyl-6-[[cyclohexyl(methyl)amino]methyl]-4-(4-methoxy-1H-indole-2-carbonyl)piperazin-2-one

C29H36N4O3 — CID 122600442

IUPAC(6S)-1-benzyl-6-[[cyclohexyl(methyl)amino]methyl]-4-(4-methoxy-1H-indole-2-carbonyl)piperazin-2-one
SMILESCOc1cccc2[nH]c(C(=O)N3CC(=O)N(Cc4ccccc4)[C@@H](CN(C)C4CCCCC4)C3)cc12
InChIInChI=1S/C29H36N4O3/c1-31(22-12-7-4-8-13-22)18-23-19-32(20-28(34)33(23)17-21-10-5-3-6-11-21)29(35)26-16-24-25(30-26)14-9-15-27(24)36-2/h3,5-6,9-11,14-16,22-23,30H,4,7-8,12-13,17-20H2,1-2H3/t23-/m0/s1
InChIKeyUTWORWYVNRDWFK-QHCPKHFHSA-N
MW488.63 g/mol
LogP4.29
Rot. Bonds7

About (6S)-1-benzyl-6-[[cyclohexyl(methyl)amino]methyl]-4-(4-methoxy-1H-indole-2-carbonyl)piperazin-2-one

(6S)-1-benzyl-6-[[cyclohexyl(methyl)amino]methyl]-4-(4-methoxy-1H-indole-2-carbonyl)piperazin-2-one (PubChem CID 122600442) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is (6S)-1-benzyl-6-[[cyclohexyl(methyl)amino]methyl]-4-(4-methoxy-1H-indole-2-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name(6S)-1-benzyl-6-[[cyclohexyl(methyl)amino]methyl]-4-(4-methoxy-1H-indole-2-carbonyl)piperazin-2-one
PubChem CID122600442
Molecular FormulaC29H36N4O3
Molecular Weight488.63 g/mol
Exact Mass488.28
IUPAC Name(6S)-1-benzyl-6-[[cyclohexyl(methyl)amino]methyl]-4-(4-methoxy-1H-indole-2-carbonyl)piperazin-2-one
SMILESCOc1cccc2[nH]c(C(=O)N3CC(=O)N(Cc4ccccc4)[C@@H](CN(C)C4CCCCC4)C3)cc12
InChIInChI=1S/C29H36N4O3/c1-31(22-12-7-4-8-13-22)18-23-19-32(20-28(34)33(23)17-21-10-5-3-6-11-21)29(35)26-16-24-25(30-26)14-9-15-27(24)36-2/h3,5-6,9-11,14-16,22-23,30H,4,7-8,12-13,17-20H2,1-2H3/t23-/m0/s1
InChIKeyUTWORWYVNRDWFK-QHCPKHFHSA-N
XLogP4.29
TPSA68.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (6S)-1-benzyl-6-[[cyclohexyl(methyl)amino]methyl]-4-(4-methoxy-1H-indole-2-carbonyl)piperazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

(4-methoxy-1H-indol-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 138496983
(6S)-6-(cyclohexylmethyl)-1-[(3-methoxyphenyl)methyl]-4-(5-methyl-1H-indole-2-carbonyl)piperazin-2-one
CID 122600924
2-[[(2R)-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)-6-oxopiperazin-2-yl]methyl]isoindole-1,3-dione
CID 155515591
(6S)-1-benzyl-6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600652
(6S)-6-[(4-benzoylpiperazin-1-yl)methyl]-1-benzyl-4-(5-methoxy-1H-indole-2-carbonyl)piperazin-2-one
CID 122600462
(4-methoxy-1H-indol-2-yl)-(4-phenylpiperazin-1-yl)methanone
CID 110853167
(6S)-6-[(4-hydroxyphenyl)methyl]-4-(5-methoxy-1H-indole-2-carbonyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 122589546
(6S)-6-benzyl-1-[(3-hydroxyphenyl)methyl]-4-(5-methyl-1H-indole-2-carbonyl)piperazin-2-one
CID 122600810
N-cyclohexyl-4-methoxy-1H-indole-2-carboxamide
CID 110848909
(6R,11R)-11-hydroxy-8-(4-methoxy-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164694211
4-methoxy-1H-indole-2-carbonyl chloride
CID 53404354
(4-methoxy-1H-indol-2-yl)-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methanone
CID 142576350

Frequently Asked Questions

What is the IUPAC name of (6S)-1-benzyl-6-[[cyclohexyl(methyl)amino]methyl]-4-(4-methoxy-1H-indole-2-carbonyl)piperazin-2-one?
The IUPAC name of (6S)-1-benzyl-6-[[cyclohexyl(methyl)amino]methyl]-4-(4-methoxy-1H-indole-2-carbonyl)piperazin-2-one (CID 122600442) is (6S)-1-benzyl-6-[[cyclohexyl(methyl)amino]methyl]-4-(4-methoxy-1H-indole-2-carbonyl)piperazin-2-one.
What is the SMILES notation for (6S)-1-benzyl-6-[[cyclohexyl(methyl)amino]methyl]-4-(4-methoxy-1H-indole-2-carbonyl)piperazin-2-one?
The canonical SMILES for (6S)-1-benzyl-6-[[cyclohexyl(methyl)amino]methyl]-4-(4-methoxy-1H-indole-2-carbonyl)piperazin-2-one is COc1cccc2[nH]c(C(=O)N3CC(=O)N(Cc4ccccc4)[C@@H](CN(C)C4CCCCC4)C3)cc12.
What is the InChIKey of (6S)-1-benzyl-6-[[cyclohexyl(methyl)amino]methyl]-4-(4-methoxy-1H-indole-2-carbonyl)piperazin-2-one?
The InChIKey is UTWORWYVNRDWFK-QHCPKHFHSA-N. The full InChI is InChI=1S/C29H36N4O3/c1-31(22-12-7-4-8-13-22)18-23-19-32(20-28(34)33(23)17-21-10-5-3-6-11-21)29(35)26-16-24-25(30-26)14-9-15-27(24)36-2/h3,5-6,9-11,14-16,22-23,30H,4,7-8,12-13,17-20H2,1-2H3/t23-/m0/s1.
What are the key properties of (6S)-1-benzyl-6-[[cyclohexyl(methyl)amino]methyl]-4-(4-methoxy-1H-indole-2-carbonyl)piperazin-2-one?
(6S)-1-benzyl-6-[[cyclohexyl(methyl)amino]methyl]-4-(4-methoxy-1H-indole-2-carbonyl)piperazin-2-one has a molecular weight of 488.63 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-benzyl-6-[[cyclohexyl(methyl)amino]methyl]-4-(4-methoxy-1H-indole-2-carbonyl)piperazin-2-one is sourced from PubChem (CID 122600442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).