4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide

C12H24N4O2 — CID 93373838

IUPAC4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCCC[C@H](N)C(=O)N1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H24N4O2/c1-4-5-10(13)11(17)15-6-8-16(9-7-15)12(18)14(2)3/h10H,4-9,13H2,1-3H3/t10-/m0/s1
InChIKeyMHELPSBIYGKFSP-JTQLQIEISA-N
MW256.35 g/mol
LogP-0.06
Rot. Bonds3

About 4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide

4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 93373838) has the molecular formula C12H24N4O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID93373838
Molecular FormulaC12H24N4O2
Molecular Weight256.35 g/mol
Exact Mass256.19
IUPAC Name4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCCC[C@H](N)C(=O)N1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H24N4O2/c1-4-5-10(13)11(17)15-6-8-16(9-7-15)12(18)14(2)3/h10H,4-9,13H2,1-3H3/t10-/m0/s1
InChIKeyMHELPSBIYGKFSP-JTQLQIEISA-N
XLogP-0.06
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminopentanoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 54872852
2-amino-1-[4-(2-methylpropanoyl)-1,4-diazepan-1-yl]pentan-1-one;hydrochloride
CID 119297853
(2S)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 93255628
(2R)-2-amino-1-[4-(3-methylbutyl)piperazin-1-yl]pentan-1-one
CID 93375585
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
methyl 4-[(2S)-2-aminopentanoyl]piperazine-1-carboxylate
CID 93469912
(2S)-2-amino-1-piperazin-1-ylpentan-1-one
CID 93255588
(2S)-2-amino-1-(4-methylsulfonylpiperazin-1-yl)pentan-1-one
CID 107568869
N-[1-(2-aminopentanoyl)piperidin-4-yl]-N-methylethanesulfonamide
CID 119322034
2-amino-1-[4-(2-methylpropanoyl)piperazin-1-yl]hexan-1-one
CID 54870104
(2R)-2-amino-1-(1-oxo-1,4-thiazinan-4-yl)pentan-1-one
CID 94243526
2-[4-(2-aminohexanoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 60937695

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide (CID 93373838) is 4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide is CCC[C@H](N)C(=O)N1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of 4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is MHELPSBIYGKFSP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N4O2/c1-4-5-10(13)11(17)15-6-8-16(9-7-15)12(18)14(2)3/h10H,4-9,13H2,1-3H3/t10-/m0/s1.
What are the key properties of 4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-aminopentanoyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 93373838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).