N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide

C17H24Cl2N4O2 — CID 113105995

IUPACN-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C17H24Cl2N4O2/c18-14-1-2-15(19)16(13-14)20-17(24)23-7-5-21(6-8-23)3-4-22-9-11-25-12-10-22/h1-2,13H,3-12H2,(H,20,24)
InChIKeyJBRVPACWOZWCCC-UHFFFAOYSA-N
MW387.31 g/mol
LogP2.48
Rot. Bonds4

About N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide

N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide (PubChem CID 113105995) has the molecular formula C17H24Cl2N4O2 and a molecular weight of 387.31 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
PubChem CID113105995
Molecular FormulaC17H24Cl2N4O2
Molecular Weight387.31 g/mol
Exact Mass386.13
IUPAC NameN-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C17H24Cl2N4O2/c18-14-1-2-15(19)16(13-14)20-17(24)23-7-5-21(6-8-23)3-4-22-9-11-25-12-10-22/h1-2,13H,3-12H2,(H,20,24)
InChIKeyJBRVPACWOZWCCC-UHFFFAOYSA-N
XLogP2.48
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105994
N-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide
CID 47090156
N-(2,4-dichlorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 78802162
4-[(2-chlorophenyl)methyl]-N-(2,5-dichlorophenyl)piperazine-1-carboxamide
CID 113107765
1-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133945
N-(2-chloro-5-methoxyphenyl)morpholine-4-carboxamide
CID 47421313
N-(2-chlorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 78802177
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-morpholin-4-yl-4-oxobutanamide
CID 9440403
N-(2,5-dichlorophenyl)-2-(4-morpholin-4-ylsulfonylpiperazin-1-yl)acetamide
CID 6457048
4-(2,5-dichloroanilino)-2-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid
CID 4860933
N-(2-chlorophenyl)-4-[2-(4-chlorophenyl)ethyl]piperazine-1-carboxamide
CID 113109911
N-(2,5-dichlorophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045546

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide (CID 113105995) is N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
The InChIKey is JBRVPACWOZWCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24Cl2N4O2/c18-14-1-2-15(19)16(13-14)20-17(24)23-7-5-21(6-8-23)3-4-22-9-11-25-12-10-22/h1-2,13H,3-12H2,(H,20,24).
What are the key properties of N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide?
N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide has a molecular weight of 387.31 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).