2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide;dihydrochloride

C19H38Cl2N4O2 — CID 119876752

IUPAC2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide;dihydrochloride
SMILESCC(C)C[C@H](N)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C19H36N4O2.2ClH/c1-15(2)13-17(20)19(25)23-11-9-22(10-12-23)14-18(24)21(3)16-7-5-4-6-8-16;;/h15-17H,4-14,20H2,1-3H3;2*1H/t17-;;/m0../s1
InChIKeyPVRBIUHPJXILBK-RMRYJAPISA-N
MW425.45 g/mol
LogP2.14
Rot. Bonds6

About 2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide;dihydrochloride

2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide;dihydrochloride (PubChem CID 119876752) has the molecular formula C19H38Cl2N4O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is 2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide;dihydrochloride
PubChem CID119876752
Molecular FormulaC19H38Cl2N4O2
Molecular Weight425.45 g/mol
Exact Mass424.24
IUPAC Name2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide;dihydrochloride
SMILESCC(C)C[C@H](N)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1.Cl.Cl
InChIInChI=1S/C19H36N4O2.2ClH/c1-15(2)13-17(20)19(25)23-11-9-22(10-12-23)14-18(24)21(3)16-7-5-4-6-8-16;;/h15-17H,4-14,20H2,1-3H3;2*1H/t17-;;/m0../s1
InChIKeyPVRBIUHPJXILBK-RMRYJAPISA-N
XLogP2.14
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide;dihydrochloride with MolForge

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Related Compounds

2-[4-[(2S)-2-amino-4-methylpentanoyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 119844101
2-[4-(2-amino-2-methylpropanoyl)piperazin-1-yl]-N-cyclohexyl-N-methylacetamide
CID 119876695
2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521865
(2S)-2-amino-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119836743
(2S)-2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119032049
2-[4-(2-amino-4-methylpentanoyl)-1,4-diazepan-1-yl]acetamide
CID 54873478
(2S)-2-amino-4-methyl-1-piperidin-1-ylpentan-1-one
CID 22690990
(2S)-2-amino-1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 118427491
(2S)-2-amino-4-methyl-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 119886581
N-cyclohexyl-N-methyl-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923321
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119852066
N-cyclohexyl-2-[4-(2-hydroxybutyl)piperazin-1-yl]-N-methylacetamide
CID 111106282

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide;dihydrochloride?
The IUPAC name of 2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide;dihydrochloride (CID 119876752) is 2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide;dihydrochloride.
What is the SMILES notation for 2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide;dihydrochloride?
The canonical SMILES for 2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide;dihydrochloride is CC(C)C[C@H](N)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1.Cl.Cl.
What is the InChIKey of 2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide;dihydrochloride?
The InChIKey is PVRBIUHPJXILBK-RMRYJAPISA-N. The full InChI is InChI=1S/C19H36N4O2.2ClH/c1-15(2)13-17(20)19(25)23-11-9-22(10-12-23)14-18(24)21(3)16-7-5-4-6-8-16;;/h15-17H,4-14,20H2,1-3H3;2*1H/t17-;;/m0../s1.
What are the key properties of 2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide;dihydrochloride?
2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide;dihydrochloride has a molecular weight of 425.45 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-amino-4-methylpentanoyl]piperazin-1-yl]-N-cyclohexyl-N-methylacetamide;dihydrochloride is sourced from PubChem (CID 119876752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).