4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide

C15H30N4O2 — CID 61162840

IUPAC4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)[C@@H](N)CC(C)C)CC1
InChIInChI=1S/C15H30N4O2/c1-5-17(6-2)15(21)19-9-7-18(8-10-19)14(20)13(16)11-12(3)4/h12-13H,5-11,16H2,1-4H3/t13-/m0/s1
InChIKeyAHMBDLPHYBDPTM-ZDUSSCGKSA-N
MW298.43 g/mol
LogP0.97
Rot. Bonds5

About 4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide

4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide (PubChem CID 61162840) has the molecular formula C15H30N4O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide
PubChem CID61162840
Molecular FormulaC15H30N4O2
Molecular Weight298.43 g/mol
Exact Mass298.24
IUPAC Name4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(C(=O)[C@@H](N)CC(C)C)CC1
InChIInChI=1S/C15H30N4O2/c1-5-17(6-2)15(21)19-9-7-18(8-10-19)14(20)13(16)11-12(3)4/h12-13H,5-11,16H2,1-4H3/t13-/m0/s1
InChIKeyAHMBDLPHYBDPTM-ZDUSSCGKSA-N
XLogP0.97
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclo(glycyl-L-leucyl)
CID 927723
Cyclo(L-leucyl-L-leucyl)
CID 192731
Cyclo(leucylglycine)
CID 2902
Cyclo(alanyl-leucyl)
CID 13879946
(3S,6S)-3-(2-Methylpropyl)-6-(propan-2-yl)piperazine-2,5-dione
CID 25220884
3-Isobutyl-6-methyl-2,5-piperazinedione
CID 3634567
N~4~-isopropyl-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3235986
(S)-2-(3,3-Dimethyl-ureido)-4-methyl-pentanoic acid (3-ethylcarbamoyl-propyl)-amide
CID 44330887
(3S,6S)-3-[(2S)-butan-2-yl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 100574378
N~4~-(sec-butyl)-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3239385
(2S)-2-amino-N-[(2S)-1-[(3R)-3-[(2-amino-2-oxoethyl)amino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
CID 57341082
(2S)-2-amino-N-[(2S)-1-[(3R)-3-[(2-amino-2-oxoethyl)-ethylamino]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamide
CID 57341083

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide?
The IUPAC name of 4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide (CID 61162840) is 4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(C(=O)[C@@H](N)CC(C)C)CC1.
What is the InChIKey of 4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide?
The InChIKey is AHMBDLPHYBDPTM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H30N4O2/c1-5-17(6-2)15(21)19-9-7-18(8-10-19)14(20)13(16)11-12(3)4/h12-13H,5-11,16H2,1-4H3/t13-/m0/s1.
What are the key properties of 4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide?
4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide is sourced from PubChem (CID 61162840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).