4-[1-cyclopentyl-2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide

C21H39N5O3 — CID 46027346

IUPAC4-[1-cyclopentyl-2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(C(=O)NCCCN2CCOCC2)C2CCCC2)CC1
InChIInChI=1S/C21H39N5O3/c1-2-22-21(28)26-12-10-25(11-13-26)19(18-6-3-4-7-18)20(27)23-8-5-9-24-14-16-29-17-15-24/h18-19H,2-17H2,1H3,(H,22,28)(H,23,27)
InChIKeyZAMYXUGQBRFMKT-UHFFFAOYSA-N
MW409.58 g/mol
LogP0.73
Rot. Bonds8

About 4-[1-cyclopentyl-2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide

4-[1-cyclopentyl-2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide (PubChem CID 46027346) has the molecular formula C21H39N5O3 and a molecular weight of 409.58 g/mol. Its IUPAC name is 4-[1-cyclopentyl-2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[1-cyclopentyl-2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
PubChem CID46027346
Molecular FormulaC21H39N5O3
Molecular Weight409.58 g/mol
Exact Mass409.31
IUPAC Name4-[1-cyclopentyl-2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide
SMILESCCNC(=O)N1CCN(C(C(=O)NCCCN2CCOCC2)C2CCCC2)CC1
InChIInChI=1S/C21H39N5O3/c1-2-22-21(28)26-12-10-25(11-13-26)19(18-6-3-4-7-18)20(27)23-8-5-9-24-14-16-29-17-15-24/h18-19H,2-17H2,1H3,(H,22,28)(H,23,27)
InChIKeyZAMYXUGQBRFMKT-UHFFFAOYSA-N
XLogP0.73
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 50.73
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-(4-benzoylpiperazin-1-yl)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)acetamide
CID 46024749
2-cyclopentyl-2-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 46024760
(2R)-2-cyclopentyl-N-(3-morpholin-4-ylpropyl)-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
CID 93210790
N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113103857
4-[(1R)-1-cyclopentyl-2-oxo-2-thiomorpholin-4-ylethyl]-N-ethylpiperazine-1-carboxamide
CID 93221518
2-cyclopentyl-2-[4-(2-methylpropanoyl)piperazin-1-yl]-N-(2-piperidin-1-ylethyl)acetamide
CID 24719977
(2S)-2-amino-2-cyclohexyl-N-(2-morpholin-4-ylethyl)acetamide
CID 83340454
1-(3-morpholin-4-ylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 43348298
2-[1-(3-morpholin-4-ylpropylcarbamoyl)azetidin-3-yl]propanoic acid
CID 116682866
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
N-ethyl-3-(3-morpholin-4-ylpropylamino)propanamide
CID 55024787
(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide
CID 93339966

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopentyl-2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide?
The IUPAC name of 4-[1-cyclopentyl-2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide (CID 46027346) is 4-[1-cyclopentyl-2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[1-cyclopentyl-2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[1-cyclopentyl-2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide is CCNC(=O)N1CCN(C(C(=O)NCCCN2CCOCC2)C2CCCC2)CC1.
What is the InChIKey of 4-[1-cyclopentyl-2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide?
The InChIKey is ZAMYXUGQBRFMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39N5O3/c1-2-22-21(28)26-12-10-25(11-13-26)19(18-6-3-4-7-18)20(27)23-8-5-9-24-14-16-29-17-15-24/h18-19H,2-17H2,1H3,(H,22,28)(H,23,27).
What are the key properties of 4-[1-cyclopentyl-2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide?
4-[1-cyclopentyl-2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide has a molecular weight of 409.58 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopentyl-2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-N-ethylpiperazine-1-carboxamide is sourced from PubChem (CID 46027346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).