4-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide

C22H33ClN4O3 — CID 55931672

IUPAC4-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C2CCN(C(=O)N(CC)CC)CC2)cc1Cl
InChIInChI=1S/C22H33ClN4O3/c1-5-25(6-2)21(29)18-10-9-17(15-19(18)23)24-20(28)16-11-13-27(14-12-16)22(30)26(7-3)8-4/h9-10,15-16H,5-8,11-14H2,1-4H3,(H,24,28)
InChIKeyRDIVYTLDAHFZMQ-UHFFFAOYSA-N
MW436.98 g/mol
LogP3.93
Rot. Bonds7

About 4-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide

4-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide (PubChem CID 55931672) has the molecular formula C22H33ClN4O3 and a molecular weight of 436.98 g/mol. Its IUPAC name is 4-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
PubChem CID55931672
Molecular FormulaC22H33ClN4O3
Molecular Weight436.98 g/mol
Exact Mass436.22
IUPAC Name4-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccc(NC(=O)C2CCN(C(=O)N(CC)CC)CC2)cc1Cl
InChIInChI=1S/C22H33ClN4O3/c1-5-25(6-2)21(29)18-10-9-17(15-19(18)23)24-20(28)16-11-13-27(14-12-16)22(30)26(7-3)8-4/h9-10,15-16H,5-8,11-14H2,1-4H3,(H,24,28)
InChIKeyRDIVYTLDAHFZMQ-UHFFFAOYSA-N
XLogP3.93
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.98
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(3-chloro-4-methylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922996
4-[[3-chloro-4-(diethylcarbamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672558
4-N-(3,5-dichlorophenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56923410
4-N-[4-(diethylsulfamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 56922315
5-(cyclopropanecarbonylamino)-N,N-diethyl-2-pyrrolidin-1-ylbenzamide
CID 771581
2-chloro-4-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]benzoic acid
CID 119164224
1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 113008513
4-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 46446491
4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55993380
1-butanoyl-N-(3-chloro-4-methylphenyl)piperidine-4-carboxamide
CID 113007300
methyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 55762114
1-N,1-N-diethyl-4-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 55837891

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide (CID 55931672) is 4-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide is CCN(CC)C(=O)c1ccc(NC(=O)C2CCN(C(=O)N(CC)CC)CC2)cc1Cl.
What is the InChIKey of 4-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
The InChIKey is RDIVYTLDAHFZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33ClN4O3/c1-5-25(6-2)21(29)18-10-9-17(15-19(18)23)24-20(28)16-11-13-27(14-12-16)22(30)26(7-3)8-4/h9-10,15-16H,5-8,11-14H2,1-4H3,(H,24,28).
What are the key properties of 4-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
4-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide has a molecular weight of 436.98 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-chloro-4-(diethylcarbamoyl)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 55931672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).