N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

C25H30N4O3 — CID 25288787

IUPACN-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCn2ccc3ccccc32)c1
InChIInChI=1S/C25H30N4O3/c1-32-21-8-4-6-19(16-21)18-29-15-12-27-25(31)23(29)17-24(30)26-11-5-13-28-14-10-20-7-2-3-9-22(20)28/h2-4,6-10,14,16,23H,5,11-13,15,17-18H2,1H3,(H,26,30)(H,27,31)/t23-/m1/s1
InChIKeyCTWOABKMSYTWRL-HSZRJFAPSA-N
MW434.54 g/mol
LogP2.55
Rot. Bonds9

About N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide

N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (PubChem CID 25288787) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
PubChem CID25288787
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC NameN-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
SMILESCOc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCn2ccc3ccccc32)c1
InChIInChI=1S/C25H30N4O3/c1-32-21-8-4-6-19(16-21)18-29-15-12-27-25(31)23(29)17-24(30)26-11-5-13-28-14-10-20-7-2-3-9-22(20)28/h2-4,6-10,14,16,23H,5,11-13,15,17-18H2,1H3,(H,26,30)(H,27,31)/t23-/m1/s1
InChIKeyCTWOABKMSYTWRL-HSZRJFAPSA-N
XLogP2.55
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-1-(furan-3-ylmethyl)-3-oxopiperazin-2-yl]-N-(2-indol-1-ylethyl)acetamide
CID 26403258
2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide
CID 25278630
2-[(2R)-1-benzyl-3-oxopiperazin-2-yl]-N-[3-(2-oxo-1-pyridinyl)propyl]acetamide
CID 126454443
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 45210149
N-butyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56886045
2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 45196329
N-(1H-imidazol-2-ylmethyl)-2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56881536
2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide
CID 45208072
N-[2-(3-methoxyphenyl)ethyl]-2-[1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 24791715
2-[1-[(4-chloro-3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 45186168
N-ethyl-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
CID 56887750
2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]acetamide
CID 26400941

Frequently Asked Questions

What is the IUPAC name of N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide (CID 25288787) is N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is COc1cccc(CN2CCNC(=O)[C@H]2CC(=O)NCCCn2ccc3ccccc32)c1.
What is the InChIKey of N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
The InChIKey is CTWOABKMSYTWRL-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-32-21-8-4-6-19(16-21)18-29-15-12-27-25(31)23(29)17-24(30)26-11-5-13-28-14-10-20-7-2-3-9-22(20)28/h2-4,6-10,14,16,23H,5,11-13,15,17-18H2,1H3,(H,26,30)(H,27,31)/t23-/m1/s1.
What are the key properties of N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide?
N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide has a molecular weight of 434.54 g/mol, XLogP of 2.55, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 25288787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).