N-(1-hydroxybutan-2-yl)-4-oxo-4-piperazin-1-ylbutanamide

C12H23N3O3 — CID 82042344

IUPACN-(1-hydroxybutan-2-yl)-4-oxo-4-piperazin-1-ylbutanamide
SMILESCCC(CO)NC(=O)CCC(=O)N1CCNCC1
InChIInChI=1S/C12H23N3O3/c1-2-10(9-16)14-11(17)3-4-12(18)15-7-5-13-6-8-15/h10,13,16H,2-9H2,1H3,(H,14,17)
InChIKeyJPSNIXXZWMZXQA-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.91
Rot. Bonds6

About N-(1-hydroxybutan-2-yl)-4-oxo-4-piperazin-1-ylbutanamide

N-(1-hydroxybutan-2-yl)-4-oxo-4-piperazin-1-ylbutanamide (PubChem CID 82042344) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-4-oxo-4-piperazin-1-ylbutanamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-4-oxo-4-piperazin-1-ylbutanamide
PubChem CID82042344
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC NameN-(1-hydroxybutan-2-yl)-4-oxo-4-piperazin-1-ylbutanamide
SMILESCCC(CO)NC(=O)CCC(=O)N1CCNCC1
InChIInChI=1S/C12H23N3O3/c1-2-10(9-16)14-11(17)3-4-12(18)15-7-5-13-6-8-15/h10,13,16H,2-9H2,1H3,(H,14,17)
InChIKeyJPSNIXXZWMZXQA-UHFFFAOYSA-N
XLogP-0.91
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-oxo-4-piperazin-1-ylbutanamide
CID 39255839
4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide
CID 79201131
N-(1-hydroxybutan-2-yl)pentanamide
CID 43417907
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
N-(4-oxo-4-piperazin-1-ylbutyl)propanamide
CID 28709367
N-[(2R)-1-hydroxybutan-2-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 103920035
N'-(1-hydroxybutan-2-yl)-N-(2-piperazin-1-ylethyl)oxamide
CID 108517854
N-[(2S)-1-hydroxybutan-2-yl]hexanamide
CID 104981701
2-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)propanamide
CID 28709201
N-[(2R)-1-hydroxybutan-2-yl]-3-methoxypropanamide
CID 103920011
2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
CID 28708756
N-butan-2-yl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54904286

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-4-oxo-4-piperazin-1-ylbutanamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-4-oxo-4-piperazin-1-ylbutanamide (CID 82042344) is N-(1-hydroxybutan-2-yl)-4-oxo-4-piperazin-1-ylbutanamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-4-oxo-4-piperazin-1-ylbutanamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-4-oxo-4-piperazin-1-ylbutanamide is CCC(CO)NC(=O)CCC(=O)N1CCNCC1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-4-oxo-4-piperazin-1-ylbutanamide?
The InChIKey is JPSNIXXZWMZXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-2-10(9-16)14-11(17)3-4-12(18)15-7-5-13-6-8-15/h10,13,16H,2-9H2,1H3,(H,14,17).
What are the key properties of N-(1-hydroxybutan-2-yl)-4-oxo-4-piperazin-1-ylbutanamide?
N-(1-hydroxybutan-2-yl)-4-oxo-4-piperazin-1-ylbutanamide has a molecular weight of 257.33 g/mol, XLogP of -0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-4-oxo-4-piperazin-1-ylbutanamide is sourced from PubChem (CID 82042344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).