N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide

C22H32N4O2 — CID 95552184

IUPACN-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
SMILESCCc1[nH]c2c(CNC(=O)C[C@H]3C(=O)NCCN3C(C)C)cc(C)cc2c1C
InChIInChI=1S/C22H32N4O2/c1-6-18-15(5)17-10-14(4)9-16(21(17)25-18)12-24-20(27)11-19-22(28)23-7-8-26(19)13(2)3/h9-10,13,19,25H,6-8,11-12H2,1-5H3,(H,23,28)(H,24,27)/t19-/m0/s1
InChIKeyQRWRPGCRQOCGCB-IBGZPJMESA-N
MW384.52 g/mol
LogP2.56
Rot. Bonds6

About N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide

N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide (PubChem CID 95552184) has the molecular formula C22H32N4O2 and a molecular weight of 384.52 g/mol. Its IUPAC name is N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
PubChem CID95552184
Molecular FormulaC22H32N4O2
Molecular Weight384.52 g/mol
Exact Mass384.25
IUPAC NameN-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
SMILESCCc1[nH]c2c(CNC(=O)C[C@H]3C(=O)NCCN3C(C)C)cc(C)cc2c1C
InChIInChI=1S/C22H32N4O2/c1-6-18-15(5)17-10-14(4)9-16(21(17)25-18)12-24-20(27)11-19-22(28)23-7-8-26(19)13(2)3/h9-10,13,19,25H,6-8,11-12H2,1-5H3,(H,23,28)(H,24,27)/t19-/m0/s1
InChIKeyQRWRPGCRQOCGCB-IBGZPJMESA-N
XLogP2.56
TPSA77.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide
CID 70730545
N-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 56898752
2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide
CID 56861427
N-[(2,6-dimethoxyphenyl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 42241907
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95126653
N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 50959250
N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-1-(pyrazol-1-ylmethyl)cyclopropane-1-carboxamide
CID 56878713
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 137098586
2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 95132319
(6S)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-methyl-3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 95426783
2-(3-oxo-1-propan-2-ylpiperazin-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 56896917
N-[(6-methoxy-1H-benzimidazol-2-yl)methyl]-2-[(2R)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide
CID 95728846

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The IUPAC name of N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide (CID 95552184) is N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide.
What is the SMILES notation for N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The canonical SMILES for N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide is CCc1[nH]c2c(CNC(=O)C[C@H]3C(=O)NCCN3C(C)C)cc(C)cc2c1C.
What is the InChIKey of N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
The InChIKey is QRWRPGCRQOCGCB-IBGZPJMESA-N. The full InChI is InChI=1S/C22H32N4O2/c1-6-18-15(5)17-10-14(4)9-16(21(17)25-18)12-24-20(27)11-19-22(28)23-7-8-26(19)13(2)3/h9-10,13,19,25H,6-8,11-12H2,1-5H3,(H,23,28)(H,24,27)/t19-/m0/s1.
What are the key properties of N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide?
N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide has a molecular weight of 384.52 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]-2-[(2S)-3-oxo-1-propan-2-ylpiperazin-2-yl]acetamide is sourced from PubChem (CID 95552184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).