2-amino-4-methyl-1-piperazin-1-ylpentan-1-one;pentanoic acid

C15H31N3O3 — CID 175272777

IUPAC2-amino-4-methyl-1-piperazin-1-ylpentan-1-one;pentanoic acid
SMILESCC(C)CC(N)C(=O)N1CCNCC1.CCCCC(=O)O
InChIInChI=1S/C10H21N3O.C5H10O2/c1-8(2)7-9(11)10(14)13-5-3-12-4-6-13;1-2-3-4-5(6)7/h8-9,12H,3-7,11H2,1-2H3;2-4H2,1H3,(H,6,7)
InChIKeyHYNDXLRQDWSEKJ-UHFFFAOYSA-N
MW301.43 g/mol
LogP1.05
Rot. Bonds6

About 2-amino-4-methyl-1-piperazin-1-ylpentan-1-one;pentanoic acid

2-amino-4-methyl-1-piperazin-1-ylpentan-1-one;pentanoic acid (PubChem CID 175272777) has the molecular formula C15H31N3O3 and a molecular weight of 301.43 g/mol. Its IUPAC name is 2-amino-4-methyl-1-piperazin-1-ylpentan-1-one;pentanoic acid.

Molecular Properties

Compound Name2-amino-4-methyl-1-piperazin-1-ylpentan-1-one;pentanoic acid
PubChem CID175272777
Molecular FormulaC15H31N3O3
Molecular Weight301.43 g/mol
Exact Mass301.24
IUPAC Name2-amino-4-methyl-1-piperazin-1-ylpentan-1-one;pentanoic acid
SMILESCC(C)CC(N)C(=O)N1CCNCC1.CCCCC(=O)O
InChIInChI=1S/C10H21N3O.C5H10O2/c1-8(2)7-9(11)10(14)13-5-3-12-4-6-13;1-2-3-4-5(6)7/h8-9,12H,3-7,11H2,1-2H3;2-4H2,1H3,(H,6,7)
InChIKeyHYNDXLRQDWSEKJ-UHFFFAOYSA-N
XLogP1.05
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-methyl-1-piperazin-1-ylpentan-1-one;pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-1-(1,4-diazepan-1-yl)hexan-1-one
CID 93315595
zinc;(2S)-2-amino-1-(1,4,7,10-tetrazacyclododec-1-yl)dodecan-1-one;hydrate
CID 139261928
(2S)-2-amino-1-piperazin-1-ylpentan-1-one
CID 93255588
2-amino-4-methyl-1-pyrrolidin-1-ylpentan-1-one
CID 20500850
3-[1-[(2S)-2-amino-4-methylpentanoyl]piperidin-4-yl]propanoic acid
CID 62215529
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990
2-methyl-1-piperazin-1-ylhexan-1-one
CID 53216088
dodecanoic acid;1-propan-2-ylpiperazine
CID 175450596
1-[(2R)-2-amino-4-methylpentanoyl]-4-propylpiperidine-4-carboxylic acid
CID 104903455
4-[(2S)-2-amino-4-methylpentanoyl]-N,N-diethylpiperazine-1-carboxamide
CID 61162840
2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]propanoic acid
CID 62311109
2-amino-1,3-di(piperazin-1-yl)propan-1-one
CID 82511538

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-1-piperazin-1-ylpentan-1-one;pentanoic acid?
The IUPAC name of 2-amino-4-methyl-1-piperazin-1-ylpentan-1-one;pentanoic acid (CID 175272777) is 2-amino-4-methyl-1-piperazin-1-ylpentan-1-one;pentanoic acid.
What is the SMILES notation for 2-amino-4-methyl-1-piperazin-1-ylpentan-1-one;pentanoic acid?
The canonical SMILES for 2-amino-4-methyl-1-piperazin-1-ylpentan-1-one;pentanoic acid is CC(C)CC(N)C(=O)N1CCNCC1.CCCCC(=O)O.
What is the InChIKey of 2-amino-4-methyl-1-piperazin-1-ylpentan-1-one;pentanoic acid?
The InChIKey is HYNDXLRQDWSEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O.C5H10O2/c1-8(2)7-9(11)10(14)13-5-3-12-4-6-13;1-2-3-4-5(6)7/h8-9,12H,3-7,11H2,1-2H3;2-4H2,1H3,(H,6,7).
What are the key properties of 2-amino-4-methyl-1-piperazin-1-ylpentan-1-one;pentanoic acid?
2-amino-4-methyl-1-piperazin-1-ylpentan-1-one;pentanoic acid has a molecular weight of 301.43 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-1-piperazin-1-ylpentan-1-one;pentanoic acid is sourced from PubChem (CID 175272777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).