N-(2,5-dichlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide

C15H21Cl2N3O2 — CID 111519706

IUPACN-(2,5-dichlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
SMILESCCC(CO)N1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H21Cl2N3O2/c1-2-12(10-21)19-5-7-20(8-6-19)15(22)18-14-9-11(16)3-4-13(14)17/h3-4,9,12,21H,2,5-8,10H2,1H3,(H,18,22)
InChIKeyGBVSMFYMFZYVBW-UHFFFAOYSA-N
MW346.26 g/mol
LogP2.91
Rot. Bonds4

About N-(2,5-dichlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide

N-(2,5-dichlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide (PubChem CID 111519706) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
PubChem CID111519706
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC NameN-(2,5-dichlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
SMILESCCC(CO)N1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C15H21Cl2N3O2/c1-2-12(10-21)19-5-7-20(8-6-19)15(22)18-14-9-11(16)3-4-13(14)17/h3-4,9,12,21H,2,5-8,10H2,1H3,(H,18,22)
InChIKeyGBVSMFYMFZYVBW-UHFFFAOYSA-N
XLogP2.91
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519709
N-(2-chloro-4-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111754219
N-(2-chloro-3-methylphenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 71973172
N-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide
CID 47090156
N-(4-fluorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide
CID 111519710
N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105995
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690255
(4-chloro-3-methylphenyl)-[4-[(2S)-1-hydroxybutan-2-yl]piperazin-1-yl]methanone
CID 99776499
4-[(2-chlorophenyl)methyl]-N-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113107765
N-(2,5-dichlorophenyl)-3-ethyl-4-oxopiperidine-1-carboxamide
CID 114508481
4-[(2S)-1-hydroxybutan-2-yl]-N-(1H-indol-5-yl)piperazine-1-carboxamide
CID 96536158
N-(2,5-dichlorophenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 115667783

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide (CID 111519706) is N-(2,5-dichlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide is CCC(CO)N1CCN(C(=O)Nc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide?
The InChIKey is GBVSMFYMFZYVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2N3O2/c1-2-12(10-21)19-5-7-20(8-6-19)15(22)18-14-9-11(16)3-4-13(14)17/h3-4,9,12,21H,2,5-8,10H2,1H3,(H,18,22).
What are the key properties of N-(2,5-dichlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide?
N-(2,5-dichlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide has a molecular weight of 346.26 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-(1-hydroxybutan-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 111519706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).