2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide

C20H36N4O3 — CID 24819132

IUPAC2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(CC1C(=O)NCCN1CC1CCCCC1)NCCCN1CCOCC1
InChIInChI=1S/C20H36N4O3/c25-19(21-7-4-9-23-11-13-27-14-12-23)15-18-20(26)22-8-10-24(18)16-17-5-2-1-3-6-17/h17-18H,1-16H2,(H,21,25)(H,22,26)
InChIKeyWVHDLNHRNSQSJA-UHFFFAOYSA-N
MW380.53 g/mol
LogP0.60
Rot. Bonds8

About 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide

2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 24819132) has the molecular formula C20H36N4O3 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID24819132
Molecular FormulaC20H36N4O3
Molecular Weight380.53 g/mol
Exact Mass380.28
IUPAC Name2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(CC1C(=O)NCCN1CC1CCCCC1)NCCCN1CCOCC1
InChIInChI=1S/C20H36N4O3/c25-19(21-7-4-9-23-11-13-27-14-12-23)15-18-20(26)22-8-10-24(18)16-17-5-2-1-3-6-17/h17-18H,1-16H2,(H,21,25)(H,22,26)
InChIKeyWVHDLNHRNSQSJA-UHFFFAOYSA-N
XLogP0.60
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 50.60
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

4-methyl-N-(3-methyl-1-{[3-(morpholin-4-yl)propyl]amino}-1-oxobutan-2-yl)cyclohexanecarboxamide
CID 3243058
4-(Cyclohexylmethyl)-3-[2-(4-methoxypiperidin-1-yl)-2-oxoethyl]piperazin-2-one
CID 16190342
N-methyl-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[3-(4-morpholinyl)propyl]acetamide
CID 24792050
2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-methyl-N-[2-(tetrahydro-2H-pyran-4-yl)ethyl]acetamide
CID 16191798
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 16187712
4-(2,2-Dimethylpropyl)-3-{2-[4-(morpholin-4-ylcarbonyl)piperidin-1-yl]-2-oxoethyl}piperazin-2-one
CID 16188943
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 16190846
2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[3-(4-morpholinyl)propyl]acetamide
CID 24791321
4-(Cyclohexylmethyl)-3-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]piperazin-2-one
CID 45187451
N-[1-(cyclohexylmethyl)-3-piperidinyl]-3-(4-morpholinyl)propanamide
CID 45205353
(2S,4R)-4-cyclohexyl-N-(2-morpholin-4-ylethyl)piperidine-2-carboxamide
CID 156018388
(2S,4R)-4-(2-cyclohexylethyl)-N-(2-morpholin-4-ylethyl)piperidine-2-carboxamide
CID 156019194

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide (CID 24819132) is 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide is O=C(CC1C(=O)NCCN1CC1CCCCC1)NCCCN1CCOCC1.
What is the InChIKey of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is WVHDLNHRNSQSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O3/c25-19(21-7-4-9-23-11-13-27-14-12-23)15-18-20(26)22-8-10-24(18)16-17-5-2-1-3-6-17/h17-18H,1-16H2,(H,21,25)(H,22,26).
What are the key properties of 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide?
2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 380.53 g/mol, XLogP of 0.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclohexylmethyl)-3-oxopiperazin-2-yl]-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 24819132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).