2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]acetamide

C24H36N4O4 — CID 26400941

IUPAC2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]acetamide
SMILESCOc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC2(N3CCOCC3)CCCC2)c1
InChIInChI=1S/C24H36N4O4/c1-31-20-6-4-5-19(15-20)17-27-10-9-25-23(30)21(27)16-22(29)26-18-24(7-2-3-8-24)28-11-13-32-14-12-28/h4-6,15,21H,2-3,7-14,16-18H2,1H3,(H,25,30)(H,26,29)/t21-/m0/s1
InChIKeyQKFZKBVFOQLYMX-NRFANRHFSA-N
MW444.58 g/mol
LogP1.15
Rot. Bonds8

About 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]acetamide

2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]acetamide (PubChem CID 26400941) has the molecular formula C24H36N4O4 and a molecular weight of 444.58 g/mol. Its IUPAC name is 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]acetamide
PubChem CID26400941
Molecular FormulaC24H36N4O4
Molecular Weight444.58 g/mol
Exact Mass444.27
IUPAC Name2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]acetamide
SMILESCOc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC2(N3CCOCC3)CCCC2)c1
InChIInChI=1S/C24H36N4O4/c1-31-20-6-4-5-19(15-20)17-27-10-9-25-23(30)21(27)16-22(29)26-18-24(7-2-3-8-24)28-11-13-32-14-12-28/h4-6,15,21H,2-3,7-14,16-18H2,1H3,(H,25,30)(H,26,29)/t21-/m0/s1
InChIKeyQKFZKBVFOQLYMX-NRFANRHFSA-N
XLogP1.15
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-prop-2-enylacetamide
CID 25278630
2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 45196329
2-[1-[(3-fluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 45210149
2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-(1-phenylcyclopropyl)acetamide
CID 45208072
N-(1H-imidazol-2-ylmethyl)-2-[1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 56881536
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
2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]acetamide
CID 45243990
N-(3-indol-1-ylpropyl)-2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]acetamide
CID 25288787
(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-morpholin-4-yl-2-oxoethyl)piperazin-2-one
CID 25292413
2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-methyl-N-(2-phenylethyl)acetamide
CID 42305682
N-(2-methylprop-2-enyl)-2-[(2R)-3-oxo-1-[(3-phenoxyphenyl)methyl]piperazin-2-yl]acetamide
CID 42094081

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]acetamide?
The IUPAC name of 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]acetamide (CID 26400941) is 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]acetamide.
What is the SMILES notation for 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]acetamide?
The canonical SMILES for 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]acetamide is COc1cccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC2(N3CCOCC3)CCCC2)c1.
What is the InChIKey of 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]acetamide?
The InChIKey is QKFZKBVFOQLYMX-NRFANRHFSA-N. The full InChI is InChI=1S/C24H36N4O4/c1-31-20-6-4-5-19(15-20)17-27-10-9-25-23(30)21(27)16-22(29)26-18-24(7-2-3-8-24)28-11-13-32-14-12-28/h4-6,15,21H,2-3,7-14,16-18H2,1H3,(H,25,30)(H,26,29)/t21-/m0/s1.
What are the key properties of 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]acetamide?
2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]acetamide has a molecular weight of 444.58 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxopiperazin-2-yl]-N-[(1-morpholin-4-ylcyclopentyl)methyl]acetamide is sourced from PubChem (CID 26400941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).