1-N-(2-chlorophenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide

C23H23ClN4O2S — CID 20973455

IUPAC1-N-(2-chlorophenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide
SMILESO=C(NCc1csc(-c2ccccc2)n1)C1CCN(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C23H23ClN4O2S/c24-19-8-4-5-9-20(19)27-23(30)28-12-10-16(11-13-28)21(29)25-14-18-15-31-22(26-18)17-6-2-1-3-7-17/h1-9,15-16H,10-14H2,(H,25,29)(H,27,30)
InChIKeyUNVXMRDZDVCDGI-UHFFFAOYSA-N
MW454.98 g/mol
LogP5.02
Rot. Bonds5

About 1-N-(2-chlorophenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide

1-N-(2-chlorophenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide (PubChem CID 20973455) has the molecular formula C23H23ClN4O2S and a molecular weight of 454.98 g/mol. Its IUPAC name is 1-N-(2-chlorophenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-chlorophenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide
PubChem CID20973455
Molecular FormulaC23H23ClN4O2S
Molecular Weight454.98 g/mol
Exact Mass454.12
IUPAC Name1-N-(2-chlorophenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide
SMILESO=C(NCc1csc(-c2ccccc2)n1)C1CCN(C(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C23H23ClN4O2S/c24-19-8-4-5-9-20(19)27-23(30)28-12-10-16(11-13-28)21(29)25-14-18-15-31-22(26-18)17-6-2-1-3-7-17/h1-9,15-16H,10-14H2,(H,25,29)(H,27,30)
InChIKeyUNVXMRDZDVCDGI-UHFFFAOYSA-N
XLogP5.02
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.98
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(2-methoxyphenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide
CID 20973454
1-N-[(3-methoxyphenyl)methyl]-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide
CID 20973471
N-(2-chlorophenyl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 8745943
1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 72916172
(2R)-1-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]azepane-2-carboxamide
CID 97145298
ethyl (3R)-3-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 51653163
(3S)-3-[(dimethylamino)methyl]-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-1-carboxamide
CID 99627252
cis-(1S,2R)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124886534
trans-(1S,2S)-2-[(2-phenyl-1,3-thiazol-4-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124886542
1-cyclopentyl-5-oxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 78833389
N-(5-chloro-2-pyridinyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 55816063
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 39701534

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-chlorophenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(2-chlorophenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide (CID 20973455) is 1-N-(2-chlorophenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2-chlorophenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2-chlorophenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide is O=C(NCc1csc(-c2ccccc2)n1)C1CCN(C(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of 1-N-(2-chlorophenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide?
The InChIKey is UNVXMRDZDVCDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2S/c24-19-8-4-5-9-20(19)27-23(30)28-12-10-16(11-13-28)21(29)25-14-18-15-31-22(26-18)17-6-2-1-3-7-17/h1-9,15-16H,10-14H2,(H,25,29)(H,27,30).
What are the key properties of 1-N-(2-chlorophenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide?
1-N-(2-chlorophenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide has a molecular weight of 454.98 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-chlorophenyl)-4-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 20973455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).