1-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

C19H20ClN3O2S — CID 52534338

IUPAC1-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nccs1)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1
InChIInChI=1S/C19H20ClN3O2S/c20-16-4-2-1-3-13(16)14-11-15(14)18(25)23-8-5-12(6-9-23)17(24)22-19-21-7-10-26-19/h1-4,7,10,12,14-15H,5-6,8-9,11H2,(H,21,22,24)/t14-,15+/m0/s1
InChIKeyIQRFUDOCSBPZAJ-LSDHHAIUSA-N
MW389.91 g/mol
LogP3.78
Rot. Bonds4

About 1-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide

1-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (PubChem CID 52534338) has the molecular formula C19H20ClN3O2S and a molecular weight of 389.91 g/mol. Its IUPAC name is 1-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
PubChem CID52534338
Molecular FormulaC19H20ClN3O2S
Molecular Weight389.91 g/mol
Exact Mass389.10
IUPAC Name1-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide
SMILESO=C(Nc1nccs1)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1
InChIInChI=1S/C19H20ClN3O2S/c20-16-4-2-1-3-13(16)14-11-15(14)18(25)23-8-5-12(6-9-23)17(24)22-19-21-7-10-26-19/h1-4,7,10,12,14-15H,5-6,8-9,11H2,(H,21,22,24)/t14-,15+/m0/s1
InChIKeyIQRFUDOCSBPZAJ-LSDHHAIUSA-N
XLogP3.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.91
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide (CID 52534338) is 1-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is O=C(Nc1nccs1)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1.
What is the InChIKey of 1-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is IQRFUDOCSBPZAJ-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H20ClN3O2S/c20-16-4-2-1-3-13(16)14-11-15(14)18(25)23-8-5-12(6-9-23)17(24)22-19-21-7-10-26-19/h1-4,7,10,12,14-15H,5-6,8-9,11H2,(H,21,22,24)/t14-,15+/m0/s1.
What are the key properties of 1-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide?
1-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 389.91 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-(2-chlorophenyl)cyclopropanecarbonyl]-N-(1,3-thiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 52534338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).