N-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

C13H27N3O2 — CID 60718696

IUPACN-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
SMILESCCC(C)NC(=O)C(C)N1CCN(CCO)CC1
InChIInChI=1S/C13H27N3O2/c1-4-11(2)14-13(18)12(3)16-7-5-15(6-8-16)9-10-17/h11-12,17H,4-10H2,1-3H3,(H,14,18)
InChIKeyCGKHLURFEAYEKZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP-0.10
Rot. Bonds6

About N-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

N-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (PubChem CID 60718696) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
PubChem CID60718696
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
SMILESCCC(C)NC(=O)C(C)N1CCN(CCO)CC1
InChIInChI=1S/C13H27N3O2/c1-4-11(2)14-13(18)12(3)16-7-5-15(6-8-16)9-10-17/h11-12,17H,4-10H2,1-3H3,(H,14,18)
InChIKeyCGKHLURFEAYEKZ-UHFFFAOYSA-N
XLogP-0.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide
CID 63309985
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-propan-2-ylpropanamide
CID 63310025
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-methylpropanamide
CID 63310069
2-[4-(1-aminobutan-2-yl)piperazin-1-yl]-N-butan-2-ylpropanamide
CID 63340524
N-butan-2-yl-2-(4-sulfamoylpiperazin-1-yl)propanamide
CID 47147108
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(1-phenylbutyl)propanamide
CID 75744030
N-cyclopropyl-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]propanamide
CID 63310068
N-(2,6-diethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110884148
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-N-(3-methylbutyl)propanamide
CID 63310111
(2R)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 51894730
N-benzyl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 110877703
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 110880118

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (CID 60718696) is N-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide is CCC(C)NC(=O)C(C)N1CCN(CCO)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The InChIKey is CGKHLURFEAYEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-4-11(2)14-13(18)12(3)16-7-5-15(6-8-16)9-10-17/h11-12,17H,4-10H2,1-3H3,(H,14,18).
What are the key properties of N-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
N-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide has a molecular weight of 257.38 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 60718696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).