3-amino-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]butanamide;dihydrochloride

C15H30Cl2N4O2 — CID 119887626

IUPAC3-amino-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NCCN1CCN(C(=O)C2CCC2)CC1.Cl.Cl
InChIInChI=1S/C15H28N4O2.2ClH/c1-12(16)11-14(20)17-5-6-18-7-9-19(10-8-18)15(21)13-3-2-4-13;;/h12-13H,2-11,16H2,1H3,(H,17,20);2*1H
InChIKeyHXRQRNBCMUAPMM-UHFFFAOYSA-N
MW369.34 g/mol
LogP0.63
Rot. Bonds6

About 3-amino-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]butanamide;dihydrochloride

3-amino-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]butanamide;dihydrochloride (PubChem CID 119887626) has the molecular formula C15H30Cl2N4O2 and a molecular weight of 369.34 g/mol. Its IUPAC name is 3-amino-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]butanamide;dihydrochloride
PubChem CID119887626
Molecular FormulaC15H30Cl2N4O2
Molecular Weight369.34 g/mol
Exact Mass368.17
IUPAC Name3-amino-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)NCCN1CCN(C(=O)C2CCC2)CC1.Cl.Cl
InChIInChI=1S/C15H28N4O2.2ClH/c1-12(16)11-14(20)17-5-6-18-7-9-19(10-8-18)15(21)13-3-2-4-13;;/h12-13H,2-11,16H2,1H3,(H,17,20);2*1H
InChIKeyHXRQRNBCMUAPMM-UHFFFAOYSA-N
XLogP0.63
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine;hydroiodide
CID 111828674
(2S,5R)-5-(aminomethyl)-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120800655
1-[2-(azepan-1-yl)-3-methylbutyl]-3-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2-methylguanidine;hydroiodide
CID 111567248
cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074992
cyclobutyl-(4-pentylpiperazin-1-yl)methanone
CID 113075121
cyclobutyl-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methanone
CID 113073602
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376060
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(2-propan-2-ylphenoxy)butanamide
CID 86944834
(2S)-2-amino-4-methyl-N-(2-pyrrolidin-1-ylethyl)pentanamide;dihydrochloride
CID 119834347
3-amino-N-(2-cyclohexylethyl)butanamide;hydrochloride
CID 119725742
(3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid
CID 7318552
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-(4-ethoxyphenyl)propanamide
CID 86944687

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]butanamide;dihydrochloride (CID 119887626) is 3-amino-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]butanamide;dihydrochloride is CC(N)CC(=O)NCCN1CCN(C(=O)C2CCC2)CC1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]butanamide;dihydrochloride?
The InChIKey is HXRQRNBCMUAPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2.2ClH/c1-12(16)11-14(20)17-5-6-18-7-9-19(10-8-18)15(21)13-3-2-4-13;;/h12-13H,2-11,16H2,1H3,(H,17,20);2*1H.
What are the key properties of 3-amino-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]butanamide;dihydrochloride?
3-amino-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]butanamide;dihydrochloride has a molecular weight of 369.34 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]butanamide;dihydrochloride is sourced from PubChem (CID 119887626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).