N'-tert-butyl-2-piperazin-1-ylbutanediamide

C12H24N4O2 — CID 66430221

IUPACN'-tert-butyl-2-piperazin-1-ylbutanediamide
SMILESCC(C)(C)NC(=O)CC(C(N)=O)N1CCNCC1
InChIInChI=1S/C12H24N4O2/c1-12(2,3)15-10(17)8-9(11(13)18)16-6-4-14-5-7-16/h9,14H,4-8H2,1-3H3,(H2,13,18)(H,15,17)
InChIKeyYVKIMDUOOYTDFV-UHFFFAOYSA-N
MW256.35 g/mol
LogP-0.95
Rot. Bonds4

About N'-tert-butyl-2-piperazin-1-ylbutanediamide

N'-tert-butyl-2-piperazin-1-ylbutanediamide (PubChem CID 66430221) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is N'-tert-butyl-2-piperazin-1-ylbutanediamide.

Molecular Properties

Compound NameN'-tert-butyl-2-piperazin-1-ylbutanediamide
PubChem CID66430221
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC NameN'-tert-butyl-2-piperazin-1-ylbutanediamide
SMILESCC(C)(C)NC(=O)CC(C(N)=O)N1CCNCC1
InChIInChI=1S/C12H24N4O2/c1-12(2,3)15-10(17)8-9(11(13)18)16-6-4-14-5-7-16/h9,14H,4-8H2,1-3H3,(H2,13,18)(H,15,17)
InChIKeyYVKIMDUOOYTDFV-UHFFFAOYSA-N
XLogP-0.95
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-[4,7-bis(1-amino-3-carboxy-1-oxopropan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]-4-oxobutanoic acid
CID 90006182
tert-butyl N-(3-amino-3-oxo-2-piperazin-1-ylpropyl)carbamate
CID 102730712
N-tert-butylpiperazine-1-carboxamide;hydrochloride
CID 67462166
N-tert-butyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54904322
1-O-tert-butyl 5-O-methyl 2-(1,4,7,10-tetrazacyclododec-1-yl)pentanedioate
CID 162500907
2-piperazin-1-ylbutanedioic acid;dihydrochloride
CID 68966423
2-(1,4-diazepan-1-yl)-4,4-dimethoxybutanamide
CID 66268249
2,2-di(piperazin-1-yl)acetamide
CID 57104434
2-piperazin-1-ylpropanamide;dihydrochloride
CID 54593431
N-tert-butyl-2-(piperidin-4-ylmethylamino)acetamide
CID 115356303
dimethyl 2-[4,7-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]butanedioate
CID 71196259
2-[4-(1-carboxy-2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]-3-hydroxypropanoic acid
CID 57254174

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-2-piperazin-1-ylbutanediamide?
The IUPAC name of N'-tert-butyl-2-piperazin-1-ylbutanediamide (CID 66430221) is N'-tert-butyl-2-piperazin-1-ylbutanediamide.
What is the SMILES notation for N'-tert-butyl-2-piperazin-1-ylbutanediamide?
The canonical SMILES for N'-tert-butyl-2-piperazin-1-ylbutanediamide is CC(C)(C)NC(=O)CC(C(N)=O)N1CCNCC1.
What is the InChIKey of N'-tert-butyl-2-piperazin-1-ylbutanediamide?
The InChIKey is YVKIMDUOOYTDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O2/c1-12(2,3)15-10(17)8-9(11(13)18)16-6-4-14-5-7-16/h9,14H,4-8H2,1-3H3,(H2,13,18)(H,15,17).
What are the key properties of N'-tert-butyl-2-piperazin-1-ylbutanediamide?
N'-tert-butyl-2-piperazin-1-ylbutanediamide has a molecular weight of 256.35 g/mol, XLogP of -0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2-piperazin-1-ylbutanediamide is sourced from PubChem (CID 66430221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).