1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide

C19H20Cl2N4O2 — CID 4052686

IUPAC1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide
SMILESCC1CN(C(=O)Nc2ccc(Cl)cc2)CCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H20Cl2N4O2/c1-13-12-24(18(26)22-16-6-2-14(20)3-7-16)10-11-25(13)19(27)23-17-8-4-15(21)5-9-17/h2-9,13H,10-12H2,1H3,(H,22,26)(H,23,27)
InChIKeyNWQBJXKJPCWMKA-UHFFFAOYSA-N
MW407.30 g/mol
LogP4.76
Rot. Bonds2

About 1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide

1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide (PubChem CID 4052686) has the molecular formula C19H20Cl2N4O2 and a molecular weight of 407.30 g/mol. Its IUPAC name is 1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide
PubChem CID4052686
Molecular FormulaC19H20Cl2N4O2
Molecular Weight407.30 g/mol
Exact Mass406.10
IUPAC Name1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide
SMILESCC1CN(C(=O)Nc2ccc(Cl)cc2)CCN1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H20Cl2N4O2/c1-13-12-24(18(26)22-16-6-2-14(20)3-7-16)10-11-25(13)19(27)23-17-8-4-15(21)5-9-17/h2-9,13H,10-12H2,1H3,(H,22,26)(H,23,27)
InChIKeyNWQBJXKJPCWMKA-UHFFFAOYSA-N
XLogP4.76
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4S)-N-(4-chlorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79411419
N-(4-chlorophenyl)-2-methyl-4-[3-methyl-2-(2-phenylbutanoylamino)pentanoyl]piperazine-1-carboxamide
CID 42725007
N-(4-chlorophenyl)-4-[2-[[2-(4-methoxyphenyl)acetyl]amino]-3-methylpentanoyl]-2-methylpiperazine-1-carboxamide
CID 42725006
N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid
CID 143206932
1-N-(4-chlorophenyl)-4-N-(2-methylphenyl)-2-phenylpiperazine-1,4-dicarboxamide
CID 44567848
4-benzoyl-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
CID 127044821
N-(4-chlorophenyl)-2-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide
CID 67343692
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 165430478
(3R)-3-amino-N-(4-chlorophenyl)pyrrolidine-1-carboxamide;hydrochloride
CID 165430484
4-acetyl-N-[3-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperazine-1-carboxamide
CID 136532879
N-(4-chlorophenyl)-3-(4-methylpiperazin-1-yl)azetidine-1-carboxamide
CID 23140487
N-(4-chlorophenyl)-4-[3-(dimethylamino)propanoyl]piperazine-1-carboxamide
CID 110422231

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide (CID 4052686) is 1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide is CC1CN(C(=O)Nc2ccc(Cl)cc2)CCN1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide?
The InChIKey is NWQBJXKJPCWMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O2/c1-13-12-24(18(26)22-16-6-2-14(20)3-7-16)10-11-25(13)19(27)23-17-8-4-15(21)5-9-17/h2-9,13H,10-12H2,1H3,(H,22,26)(H,23,27).
What are the key properties of 1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide?
1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide has a molecular weight of 407.30 g/mol, XLogP of 4.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(4-chlorophenyl)-2-methylpiperazine-1,4-dicarboxamide is sourced from PubChem (CID 4052686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).