(2R)-1-[[5-(4-chlorobenzoyl)thiophen-2-yl]methyl]piperidine-2-carboxylic acid

C18H18ClNO3S — CID 51547673

IUPAC(2R)-1-[[5-(4-chlorobenzoyl)thiophen-2-yl]methyl]piperidine-2-carboxylic acid
SMILESO=C(c1ccc(Cl)cc1)c1ccc(CN2CCCC[C@@H]2C(=O)O)s1
InChIInChI=1S/C18H18ClNO3S/c19-13-6-4-12(5-7-13)17(21)16-9-8-14(24-16)11-20-10-2-1-3-15(20)18(22)23/h4-9,15H,1-3,10-11H2,(H,22,23)/t15-/m1/s1
InChIKeyQSPKNFZKALNKIT-OAHLLOKOSA-N
MW363.87 g/mol
LogP4.07
Rot. Bonds5

About (2R)-1-[[5-(4-chlorobenzoyl)thiophen-2-yl]methyl]piperidine-2-carboxylic acid

(2R)-1-[[5-(4-chlorobenzoyl)thiophen-2-yl]methyl]piperidine-2-carboxylic acid (PubChem CID 51547673) has the molecular formula C18H18ClNO3S and a molecular weight of 363.87 g/mol. Its IUPAC name is (2R)-1-[[5-(4-chlorobenzoyl)thiophen-2-yl]methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[[5-(4-chlorobenzoyl)thiophen-2-yl]methyl]piperidine-2-carboxylic acid
PubChem CID51547673
Molecular FormulaC18H18ClNO3S
Molecular Weight363.87 g/mol
Exact Mass363.07
IUPAC Name(2R)-1-[[5-(4-chlorobenzoyl)thiophen-2-yl]methyl]piperidine-2-carboxylic acid
SMILESO=C(c1ccc(Cl)cc1)c1ccc(CN2CCCC[C@@H]2C(=O)O)s1
InChIInChI=1S/C18H18ClNO3S/c19-13-6-4-12(5-7-13)17(21)16-9-8-14(24-16)11-20-10-2-1-3-15(20)18(22)23/h4-9,15H,1-3,10-11H2,(H,22,23)/t15-/m1/s1
InChIKeyQSPKNFZKALNKIT-OAHLLOKOSA-N
XLogP4.07
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[[5-(4-chlorobenzoyl)thiophen-2-yl]methyl]piperidine-2-carboxylic acid
CID 51547671
1-[(5-phenylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
CID 122040447
1-[(2-chloro-1,3-thiazol-5-yl)methyl]piperidine-2-carboxylic acid
CID 71649579
(2R)-1-[[5-(4-carbamimidoylphenoxy)carbonylthiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid
CID 121352993
1-[(3-chlorophenyl)methyl]azocane-2-carboxylic acid
CID 114239898
(2S)-1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidine-2-carboxylic acid
CID 122038693
(2S)-1-(4-chlorophenyl)piperidine-2-carboxylic acid
CID 58564077
(2S)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 86310024
1-[(4-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 4021400
(2S)-1-[(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
CID 51441049
(2R)-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 119914161
1-[(4-chloro-2-nitrophenyl)methyl]piperidine-2-carboxylic acid
CID 62101778

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[5-(4-chlorobenzoyl)thiophen-2-yl]methyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[[5-(4-chlorobenzoyl)thiophen-2-yl]methyl]piperidine-2-carboxylic acid (CID 51547673) is (2R)-1-[[5-(4-chlorobenzoyl)thiophen-2-yl]methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[[5-(4-chlorobenzoyl)thiophen-2-yl]methyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[[5-(4-chlorobenzoyl)thiophen-2-yl]methyl]piperidine-2-carboxylic acid is O=C(c1ccc(Cl)cc1)c1ccc(CN2CCCC[C@@H]2C(=O)O)s1.
What is the InChIKey of (2R)-1-[[5-(4-chlorobenzoyl)thiophen-2-yl]methyl]piperidine-2-carboxylic acid?
The InChIKey is QSPKNFZKALNKIT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18ClNO3S/c19-13-6-4-12(5-7-13)17(21)16-9-8-14(24-16)11-20-10-2-1-3-15(20)18(22)23/h4-9,15H,1-3,10-11H2,(H,22,23)/t15-/m1/s1.
What are the key properties of (2R)-1-[[5-(4-chlorobenzoyl)thiophen-2-yl]methyl]piperidine-2-carboxylic acid?
(2R)-1-[[5-(4-chlorobenzoyl)thiophen-2-yl]methyl]piperidine-2-carboxylic acid has a molecular weight of 363.87 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[5-(4-chlorobenzoyl)thiophen-2-yl]methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 51547673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).