2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide

C22H32N4O3 — CID 45196144

IUPAC2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESO=C(CC1C(=O)NCCN1C1CCCC1)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H32N4O3/c27-21(15-20-22(28)23-9-10-26(20)19-3-1-2-4-19)24-16-17-5-7-18(8-6-17)25-11-13-29-14-12-25/h5-8,19-20H,1-4,9-16H2,(H,23,28)(H,24,27)
InChIKeyMEGOKMPVBGAYOF-UHFFFAOYSA-N
MW400.52 g/mol
LogP1.27
Rot. Bonds6

About 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide

2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (PubChem CID 45196144) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
PubChem CID45196144
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
SMILESO=C(CC1C(=O)NCCN1C1CCCC1)NCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C22H32N4O3/c27-21(15-20-22(28)23-9-10-26(20)19-3-1-2-4-19)24-16-17-5-7-18(8-6-17)25-11-13-29-14-12-25/h5-8,19-20H,1-4,9-16H2,(H,23,28)(H,24,27)
InChIKeyMEGOKMPVBGAYOF-UHFFFAOYSA-N
XLogP1.27
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 42557154
2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]acetamide
CID 95716394
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24791261
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 45192958
N-[2-(2-chlorophenyl)ethyl]-2-(1-cyclopentyl-3-oxopiperazin-2-yl)acetamide
CID 45225436
N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide
CID 110405120
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-(3-methylsulfanylpropyl)acetamide
CID 45170388
N-benzhydryl-2-[(2S)-1-cyclopentyl-3-oxopiperazin-2-yl]acetamide
CID 42240993
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]acetamide
CID 56855032
benzyl 2-[(2R)-1-cyclopentyl-3-oxopiperazin-2-yl]acetate
CID 42426678
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 110405121

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide (CID 45196144) is 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is O=C(CC1C(=O)NCCN1C1CCCC1)NCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
The InChIKey is MEGOKMPVBGAYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c27-21(15-20-22(28)23-9-10-26(20)19-3-1-2-4-19)24-16-17-5-7-18(8-6-17)25-11-13-29-14-12-25/h5-8,19-20H,1-4,9-16H2,(H,23,28)(H,24,27).
What are the key properties of 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide?
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide has a molecular weight of 400.52 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide is sourced from PubChem (CID 45196144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).