(3R)-N-(1,2-benzothiazol-5-yl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide

C20H20ClN3OS — CID 100777636

IUPAC(3R)-N-(1,2-benzothiazol-5-yl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc2sncc2c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H20ClN3OS/c21-17-5-3-14(4-6-17)12-24-9-1-2-15(13-24)20(25)23-18-7-8-19-16(10-18)11-22-26-19/h3-8,10-11,15H,1-2,9,12-13H2,(H,23,25)/t15-/m1/s1
InChIKeyKODFZMPXQBGUFM-OAHLLOKOSA-N
MW385.92 g/mol
LogP4.80
Rot. Bonds4

About (3R)-N-(1,2-benzothiazol-5-yl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide

(3R)-N-(1,2-benzothiazol-5-yl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 100777636) has the molecular formula C20H20ClN3OS and a molecular weight of 385.92 g/mol. Its IUPAC name is (3R)-N-(1,2-benzothiazol-5-yl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1,2-benzothiazol-5-yl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID100777636
Molecular FormulaC20H20ClN3OS
Molecular Weight385.92 g/mol
Exact Mass385.10
IUPAC Name(3R)-N-(1,2-benzothiazol-5-yl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc2sncc2c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H20ClN3OS/c21-17-5-3-14(4-6-17)12-24-9-1-2-15(13-24)20(25)23-18-7-8-19-16(10-18)11-22-26-19/h3-8,10-11,15H,1-2,9,12-13H2,(H,23,25)/t15-/m1/s1
InChIKeyKODFZMPXQBGUFM-OAHLLOKOSA-N
XLogP4.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.92
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(1,2-benzothiazol-5-yl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 100778359
N-(3-chloro-4-fluorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43923085
(3R)-N-(3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851283
N-(4-bromo-3-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 43924875
(3S)-N-(1,2-benzothiazol-5-yl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 125048783
(3R)-N-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 93490550
N-(1,2-benzothiazol-5-yl)cyclohexanecarboxamide
CID 99825276
1-[(4-chlorophenyl)methyl]-N-[4-(cyanomethyl)phenyl]piperidine-3-carboxamide
CID 43921795
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
1-[(4-chlorophenyl)methyl]-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
CID 43922850
N-(1,2-benzothiazol-5-yl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 75511056
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1,2-benzothiazol-5-yl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(1,2-benzothiazol-5-yl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide (CID 100777636) is (3R)-N-(1,2-benzothiazol-5-yl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1,2-benzothiazol-5-yl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1,2-benzothiazol-5-yl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide is O=C(Nc1ccc2sncc2c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-N-(1,2-benzothiazol-5-yl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is KODFZMPXQBGUFM-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20ClN3OS/c21-17-5-3-14(4-6-17)12-24-9-1-2-15(13-24)20(25)23-18-7-8-19-16(10-18)11-22-26-19/h3-8,10-11,15H,1-2,9,12-13H2,(H,23,25)/t15-/m1/s1.
What are the key properties of (3R)-N-(1,2-benzothiazol-5-yl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide?
(3R)-N-(1,2-benzothiazol-5-yl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 385.92 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1,2-benzothiazol-5-yl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 100777636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).