[1-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl] acetate

C19H19ClN2O4S — CID 75387916

IUPAC[1-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl] acetate
SMILESCC(=O)OC1CCCN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C1
InChIInChI=1S/C19H19ClN2O4S/c1-12(23)26-14-4-2-8-22(11-14)19(25)13-6-7-15(20)16(10-13)21-18(24)17-5-3-9-27-17/h3,5-7,9-10,14H,2,4,8,11H2,1H3,(H,21,24)
InChIKeyZHLQNWBLLNFPKH-UHFFFAOYSA-N
MW406.89 g/mol
LogP3.82
Rot. Bonds4

About [1-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl] acetate

[1-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl] acetate (PubChem CID 75387916) has the molecular formula C19H19ClN2O4S and a molecular weight of 406.89 g/mol. Its IUPAC name is [1-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl] acetate.

Molecular Properties

Compound Name[1-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl] acetate
PubChem CID75387916
Molecular FormulaC19H19ClN2O4S
Molecular Weight406.89 g/mol
Exact Mass406.08
IUPAC Name[1-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl] acetate
SMILESCC(=O)OC1CCCN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C1
InChIInChI=1S/C19H19ClN2O4S/c1-12(23)26-14-4-2-8-22(11-14)19(25)13-6-7-15(20)16(10-13)21-18(24)17-5-3-9-27-17/h3,5-7,9-10,14H,2,4,8,11H2,1H3,(H,21,24)
InChIKeyZHLQNWBLLNFPKH-UHFFFAOYSA-N
XLogP3.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.89
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[3-(1-aminoethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide;hydrochloride
CID 119595398
N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 51145614
N-[2-chloro-5-(3-methylpiperazine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 119579255
N-[5-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 41282701
N-[2-chloro-5-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 119650923
N-[2-chloro-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55956968
N-[2-chloro-5-[4-(4-methoxyphenyl)-1,4-diazepane-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 55956560
N-[5-[2-(aminomethyl)piperidine-1-carbonyl]-2-chlorophenyl]thiophene-2-carboxamide
CID 119468501
N-[2-chloro-5-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 95275132
N-[5-(acetamidocarbamoyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 43006993
N-[2-chloro-5-[(2S,3S)-2-ethyl-3-methylpyrrolidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 99786614
N-[2-chloro-5-[4-(3-hydroxyphenyl)piperazine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 112800496

Frequently Asked Questions

What is the IUPAC name of [1-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl] acetate?
The IUPAC name of [1-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl] acetate (CID 75387916) is [1-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl] acetate.
What is the SMILES notation for [1-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl] acetate?
The canonical SMILES for [1-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl] acetate is CC(=O)OC1CCCN(C(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)C1.
What is the InChIKey of [1-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl] acetate?
The InChIKey is ZHLQNWBLLNFPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4S/c1-12(23)26-14-4-2-8-22(11-14)19(25)13-6-7-15(20)16(10-13)21-18(24)17-5-3-9-27-17/h3,5-7,9-10,14H,2,4,8,11H2,1H3,(H,21,24).
What are the key properties of [1-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl] acetate?
[1-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl] acetate has a molecular weight of 406.89 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl] acetate is sourced from PubChem (CID 75387916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).