[(2R,3R)-1-[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium

C17H25Cl2N4O2+ — CID 6961768

IUPAC[(2R,3R)-1-[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium
SMILESCC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H24Cl2N4O2/c1-3-11(2)15(20)16(24)22-6-8-23(9-7-22)17(25)21-12-4-5-13(18)14(19)10-12/h4-5,10-11,15H,3,6-9,20H2,1-2H3,(H,21,25)/p+1/t11-,15-/m1/s1
InChIKeyIQAJZNZJKSJZAL-IAQYHMDHSA-O
MW388.32 g/mol
LogP2.33
Rot. Bonds4

About [(2R,3R)-1-[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium

[(2R,3R)-1-[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium (PubChem CID 6961768) has the molecular formula C17H25Cl2N4O2+ and a molecular weight of 388.32 g/mol. Its IUPAC name is [(2R,3R)-1-[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium.

Molecular Properties

Compound Name[(2R,3R)-1-[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium
PubChem CID6961768
Molecular FormulaC17H25Cl2N4O2+
Molecular Weight388.32 g/mol
Exact Mass387.13
IUPAC Name[(2R,3R)-1-[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium
SMILESCC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C17H24Cl2N4O2/c1-3-11(2)15(20)16(24)22-6-8-23(9-7-22)17(25)21-12-4-5-13(18)14(19)10-12/h4-5,10-11,15H,3,6-9,20H2,1-2H3,(H,21,25)/p+1/t11-,15-/m1/s1
InChIKeyIQAJZNZJKSJZAL-IAQYHMDHSA-O
XLogP2.33
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
2-[(2S)-2-amino-3-methylpentanoyl]-N-(3,4-dichlorophenyl)pyrazolidine-1-carboxamide;hydrochloride
CID 45263172
N-(3,4-dichlorophenyl)-4-[2-(2-methylpropylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 17486743
4-[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 25478294
4-(cyanomethyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 60971116
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1358692
(3S,5S)-N-(3,4-dichlorophenyl)-3,5-dimethylpiperidine-1-carboxamide
CID 840585
N-(4-chloro-3-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 122148707
N-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 63310216
N-(3-chloro-4-methoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108988526
N-(3-chloro-4-methoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113103998
N-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 17171501

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-1-[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium?
The IUPAC name of [(2R,3R)-1-[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium (CID 6961768) is [(2R,3R)-1-[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium.
What is the SMILES notation for [(2R,3R)-1-[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium?
The canonical SMILES for [(2R,3R)-1-[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium is CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of [(2R,3R)-1-[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium?
The InChIKey is IQAJZNZJKSJZAL-IAQYHMDHSA-O. The full InChI is InChI=1S/C17H24Cl2N4O2/c1-3-11(2)15(20)16(24)22-6-8-23(9-7-22)17(25)21-12-4-5-13(18)14(19)10-12/h4-5,10-11,15H,3,6-9,20H2,1-2H3,(H,21,25)/p+1/t11-,15-/m1/s1.
What are the key properties of [(2R,3R)-1-[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium?
[(2R,3R)-1-[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium has a molecular weight of 388.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-1-[4-[(3,4-dichlorophenyl)carbamoyl]piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]azanium is sourced from PubChem (CID 6961768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).