N-(butylcarbamoyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide

C17H31N5O4 — CID 55412983

IUPACN-(butylcarbamoyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)NC(=O)CN1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H31N5O4/c1-2-3-4-18-17(25)19-15(23)13-20-5-7-21(8-6-20)14-16(24)22-9-11-26-12-10-22/h2-14H2,1H3,(H2,18,19,23,25)
InChIKeyPLFFXKJGHGJIPE-UHFFFAOYSA-N
MW369.47 g/mol
LogP-0.91
Rot. Bonds7

About N-(butylcarbamoyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide

N-(butylcarbamoyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide (PubChem CID 55412983) has the molecular formula C17H31N5O4 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(butylcarbamoyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(butylcarbamoyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
PubChem CID55412983
Molecular FormulaC17H31N5O4
Molecular Weight369.47 g/mol
Exact Mass369.24
IUPAC NameN-(butylcarbamoyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide
SMILESCCCCNC(=O)NC(=O)CN1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C17H31N5O4/c1-2-3-4-18-17(25)19-15(23)13-20-5-7-21(8-6-20)14-16(24)22-9-11-26-12-10-22/h2-14H2,1H3,(H2,18,19,23,25)
InChIKeyPLFFXKJGHGJIPE-UHFFFAOYSA-N
XLogP-0.91
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 113406059
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(2-thiophen-2-ylethylcarbamoyl)acetamide
CID 30415975
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24507149
4-(methylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119834225
N-(butylcarbamoyl)-2-[4-(ethylaminomethyl)piperidin-1-yl]acetamide
CID 80546664
2-(4-acetylpiperazin-1-yl)-N-butylacetamide
CID 108993129
1-[2-(butylcarbamoylamino)-2-oxoethyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63148934
N-(butylcarbamoyl)-2-[4-(2-chlorophenyl)piperazin-1-yl]acetamide
CID 26569605
N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113103857
N-(butylcarbamoyl)-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetamide
CID 55828275
2-morpholin-4-yl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 86019043
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(butylcarbamoyl)acetamide
CID 11932062

Frequently Asked Questions

What is the IUPAC name of N-(butylcarbamoyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(butylcarbamoyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide (CID 55412983) is N-(butylcarbamoyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(butylcarbamoyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(butylcarbamoyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide is CCCCNC(=O)NC(=O)CN1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of N-(butylcarbamoyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide?
The InChIKey is PLFFXKJGHGJIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O4/c1-2-3-4-18-17(25)19-15(23)13-20-5-7-21(8-6-20)14-16(24)22-9-11-26-12-10-22/h2-14H2,1H3,(H2,18,19,23,25).
What are the key properties of N-(butylcarbamoyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide?
N-(butylcarbamoyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide has a molecular weight of 369.47 g/mol, XLogP of -0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylcarbamoyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 55412983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).