N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide

C15H30N4O2 — CID 113103857

IUPACN-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C15H30N4O2/c1-2-3-4-16-15(20)19-9-7-17(8-10-19)5-6-18-11-13-21-14-12-18/h2-14H2,1H3,(H,16,20)
InChIKeyBYDFQWGYDYUJRF-UHFFFAOYSA-N
MW298.43 g/mol
LogP0.45
Rot. Bonds6

About N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide

N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide (PubChem CID 113103857) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
PubChem CID113103857
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC NameN-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
SMILESCCCCNC(=O)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C15H30N4O2/c1-2-3-4-16-15(20)19-9-7-17(8-10-19)5-6-18-11-13-21-14-12-18/h2-14H2,1H3,(H,16,20)
InChIKeyBYDFQWGYDYUJRF-UHFFFAOYSA-N
XLogP0.45
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105897
N-butylaziridine-1-carboxamide
CID 55206947
N-[2-(dimethylamino)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105782
N-propylmorpholine-4-carboxamide
CID 3410822
N-butyl-4-methylpiperazine-1-carboxamide;ethane;molecular hydrogen
CID 144983646
N-(3-morpholin-4-ylpropyl)butanamide
CID 4162480
1-(2-morpholin-4-ylethyl)-3-pentylurea
CID 108988288
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
1-(3-morpholin-4-ylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 43348298
3-(2-morpholin-4-ylethylamino)-N-pentylpropanamide
CID 109016748
N-(3-morpholin-4-ylpropyl)-4-phenylpiperazine-1-carboxamide
CID 14763453
N-(2-methylpropyl)-4-pentylpiperazine-1-carboxamide
CID 113104066

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide (CID 113103857) is N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide is CCCCNC(=O)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The InChIKey is BYDFQWGYDYUJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-2-3-4-16-15(20)19-9-7-17(8-10-19)5-6-18-11-13-21-14-12-18/h2-14H2,1H3,(H,16,20).
What are the key properties of N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113103857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).