N-(2,5-dichlorophenyl)-2,5-dimethylpiperazine-1-carboxamide

C13H17Cl2N3O — CID 64979775

IUPACN-(2,5-dichlorophenyl)-2,5-dimethylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cc(Cl)ccc2Cl)C(C)CN1
InChIInChI=1S/C13H17Cl2N3O/c1-8-7-18(9(2)6-16-8)13(19)17-12-5-10(14)3-4-11(12)15/h3-5,8-9,16H,6-7H2,1-2H3,(H,17,19)
InChIKeyCZYXHNCQVRFAIU-UHFFFAOYSA-N
MW302.20 g/mol
LogP3.21
Rot. Bonds1

About N-(2,5-dichlorophenyl)-2,5-dimethylpiperazine-1-carboxamide

N-(2,5-dichlorophenyl)-2,5-dimethylpiperazine-1-carboxamide (PubChem CID 64979775) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2,5-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2,5-dimethylpiperazine-1-carboxamide
PubChem CID64979775
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC NameN-(2,5-dichlorophenyl)-2,5-dimethylpiperazine-1-carboxamide
SMILESCC1CN(C(=O)Nc2cc(Cl)ccc2Cl)C(C)CN1
InChIInChI=1S/C13H17Cl2N3O/c1-8-7-18(9(2)6-16-8)13(19)17-12-5-10(14)3-4-11(12)15/h3-5,8-9,16H,6-7H2,1-2H3,(H,17,19)
InChIKeyCZYXHNCQVRFAIU-UHFFFAOYSA-N
XLogP3.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)-2-[(3R)-3-methylpiperazin-1-yl]acetamide
CID 104975276
(3-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64980085
(5-bromo-2-chlorophenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64979323
N-(2,5-dichlorophenyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxamide
CID 66242943
(2R)-N-(2,5-dichlorophenyl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97075950
(2S)-1-N-(2,5-dichlorophenyl)-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 99818478
(4aR,8aS)-N-(2,5-dichlorophenyl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-1-carboxamide
CID 97061970
(4-chloro-1H-pyrrol-2-yl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 64979359
N-(2,5-dichlorophenyl)-4-methylpyrrolidine-3-carboxamide
CID 63720795
(3S)-3-amino-N-(2,5-dichlorophenyl)pyrrolidine-1-carboxamide
CID 113282412
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylpiperazine-1-carboxamide
CID 165430437
N-(2,5-dichlorophenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704869

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2,5-dimethylpiperazine-1-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2,5-dimethylpiperazine-1-carboxamide (CID 64979775) is N-(2,5-dichlorophenyl)-2,5-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2,5-dimethylpiperazine-1-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2,5-dimethylpiperazine-1-carboxamide is CC1CN(C(=O)Nc2cc(Cl)ccc2Cl)C(C)CN1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2,5-dimethylpiperazine-1-carboxamide?
The InChIKey is CZYXHNCQVRFAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-8-7-18(9(2)6-16-8)13(19)17-12-5-10(14)3-4-11(12)15/h3-5,8-9,16H,6-7H2,1-2H3,(H,17,19).
What are the key properties of N-(2,5-dichlorophenyl)-2,5-dimethylpiperazine-1-carboxamide?
N-(2,5-dichlorophenyl)-2,5-dimethylpiperazine-1-carboxamide has a molecular weight of 302.20 g/mol, XLogP of 3.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2,5-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 64979775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).