N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-amino-2-methylpentanamide;hydrochloride

C15H29ClN4O3 — CID 119779693

IUPACN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-amino-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1.Cl
InChIInChI=1S/C15H28N4O3.ClH/c1-4-6-15(3,16)14(22)17-7-5-13(21)19-10-8-18(9-11-19)12(2)20;/h4-11,16H2,1-3H3,(H,17,22);1H
InChIKeyBETJSGLZYXDDQP-UHFFFAOYSA-N
MW348.88 g/mol
LogP0.12
Rot. Bonds6

About N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-amino-2-methylpentanamide;hydrochloride

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-amino-2-methylpentanamide;hydrochloride (PubChem CID 119779693) has the molecular formula C15H29ClN4O3 and a molecular weight of 348.88 g/mol. Its IUPAC name is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-amino-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-amino-2-methylpentanamide;hydrochloride
PubChem CID119779693
Molecular FormulaC15H29ClN4O3
Molecular Weight348.88 g/mol
Exact Mass348.19
IUPAC NameN-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-amino-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1.Cl
InChIInChI=1S/C15H28N4O3.ClH/c1-4-6-15(3,16)14(22)17-7-5-13(21)19-10-8-18(9-11-19)12(2)20;/h4-11,16H2,1-3H3,(H,17,22);1H
InChIKeyBETJSGLZYXDDQP-UHFFFAOYSA-N
XLogP0.12
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.88
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-hydroxyethyl)-2-methylpentanamide
CID 60847863
2-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpentanamide
CID 61240400
1-(4-acetylpiperazin-1-yl)-3-(tert-butylamino)propan-1-one
CID 60894223
2-amino-N-[3-(azepan-1-yl)propyl]-2-methylpentanamide
CID 119831283
2-amino-N-(2-hydroxy-2-methylpropyl)-2-methylpentanamide
CID 65107360
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pentanamide
CID 61241654
2-amino-N-(2-methoxyethyl)-2-methylpentanamide
CID 60848561
2-amino-N-(3-hydroxypentyl)-2-methylpentanamide;hydrochloride
CID 119766466
(2S)-2-amino-3,3-dimethyl-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]butanamide;dihydrochloride
CID 119849543
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride
CID 119517349
1-(4-acetylpiperazin-1-yl)-4,4-dimethylhexan-1-one
CID 145404490
2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-2-methylpentan-1-one;hydrochloride
CID 119743528

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-amino-2-methylpentanamide;hydrochloride?
The IUPAC name of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-amino-2-methylpentanamide;hydrochloride (CID 119779693) is N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-amino-2-methylpentanamide;hydrochloride.
What is the SMILES notation for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-amino-2-methylpentanamide;hydrochloride?
The canonical SMILES for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-amino-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1.Cl.
What is the InChIKey of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-amino-2-methylpentanamide;hydrochloride?
The InChIKey is BETJSGLZYXDDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3.ClH/c1-4-6-15(3,16)14(22)17-7-5-13(21)19-10-8-18(9-11-19)12(2)20;/h4-11,16H2,1-3H3,(H,17,22);1H.
What are the key properties of N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-amino-2-methylpentanamide;hydrochloride?
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-amino-2-methylpentanamide;hydrochloride has a molecular weight of 348.88 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-amino-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 119779693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).