N-butan-2-yl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide

C17H32N4O2 — CID 134045373

IUPACN-butan-2-yl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(C)C(=O)N2CCCC2)CC1
InChIInChI=1S/C17H32N4O2/c1-4-14(2)18-16(22)13-19-9-11-20(12-10-19)15(3)17(23)21-7-5-6-8-21/h14-15H,4-13H2,1-3H3,(H,18,22)
InChIKeyCVFJRBORZUDVLF-UHFFFAOYSA-N
MW324.47 g/mol
LogP0.53
Rot. Bonds6

About N-butan-2-yl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide

N-butan-2-yl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide (PubChem CID 134045373) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N-butan-2-yl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide
PubChem CID134045373
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC NameN-butan-2-yl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(C(C)C(=O)N2CCCC2)CC1
InChIInChI=1S/C17H32N4O2/c1-4-14(2)18-16(22)13-19-9-11-20(12-10-19)15(3)17(23)21-7-5-6-8-21/h14-15H,4-13H2,1-3H3,(H,18,22)
InChIKeyCVFJRBORZUDVLF-UHFFFAOYSA-N
XLogP0.53
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide
CID 127274229
2-[4-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]piperazin-1-yl]-N-phenylacetamide
CID 31691823
N-butan-2-yl-2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]acetamide
CID 111487266
N-(4-methylphenyl)-2-[4-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]piperazin-1-yl]acetamide
CID 30722810
2-[4-[(2S)-2-(azepan-1-yl)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 95934647
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 78808588
N-butan-2-yl-2-[4-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 134045413
(2S)-1-(azepan-1-yl)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propan-1-one
CID 95320713
2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 78815696
N-[(2R)-butan-2-yl]-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]acetamide
CID 124729725
2-(4-benzhydrylpiperazin-1-yl)-N-[(2R)-butan-2-yl]acetamide
CID 8902107
3-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-2-methylpropanoic acid
CID 82323000

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide (CID 134045373) is N-butan-2-yl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(C(C)C(=O)N2CCCC2)CC1.
What is the InChIKey of N-butan-2-yl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide?
The InChIKey is CVFJRBORZUDVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-4-14(2)18-16(22)13-19-9-11-20(12-10-19)15(3)17(23)21-7-5-6-8-21/h14-15H,4-13H2,1-3H3,(H,18,22).
What are the key properties of N-butan-2-yl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide?
N-butan-2-yl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide has a molecular weight of 324.47 g/mol, XLogP of 0.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 134045373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).