phenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate

C19H21ClN2O3S — CID 137372890

IUPACphenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
SMILESCC(NC(=O)c1ccc(Cl)s1)C1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O3S/c1-13(21-18(23)16-7-8-17(20)26-16)14-9-11-22(12-10-14)19(24)25-15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,21,23)
InChIKeyAJOPLUVUDBIUFF-UHFFFAOYSA-N
MW392.91 g/mol
LogP4.43
Rot. Bonds4

About phenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate

phenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate (PubChem CID 137372890) has the molecular formula C19H21ClN2O3S and a molecular weight of 392.91 g/mol. Its IUPAC name is phenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
PubChem CID137372890
Molecular FormulaC19H21ClN2O3S
Molecular Weight392.91 g/mol
Exact Mass392.10
IUPAC Namephenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
SMILESCC(NC(=O)c1ccc(Cl)s1)C1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O3S/c1-13(21-18(23)16-7-8-17(20)26-16)14-9-11-22(12-10-14)19(24)25-15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,21,23)
InChIKeyAJOPLUVUDBIUFF-UHFFFAOYSA-N
XLogP4.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze phenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl 4-[(R)-[(5-chlorothiophene-2-carbonyl)amino]-cyclopropylmethyl]piperidine-1-carboxylate
CID 137372964
4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid
CID 137372825
(3-fluoro-2-methylphenyl) 4-[(1R)-1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
CID 137372818
5-chloro-N-[(1S)-1-cyclohexylethyl]thiophene-2-carboxamide
CID 159200384
tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate
CID 174994554
(2,3-dimethyl-4-pyridinyl) 4-[(1R)-1-[(5-methylthiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
CID 137385725
tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-3-ethoxy-3-oxopropyl]piperidine-1-carboxylate
CID 137373257
tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-4-methylpentyl]piperidine-1-carboxylate
CID 137373033
5-chloro-N-[(1S)-1-phenylethyl]thiophene-2-carboxamide
CID 9330177
4-O-ethyl 1-O-phenyl piperidine-1,4-dicarboxylate
CID 3851418
(5-chlorothiophen-2-yl)-[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]methanone
CID 31058355
benzyl 4-[(1S)-1-(chloroamino)ethyl]piperidine-1-carboxylate
CID 126554184

Frequently Asked Questions

What is the IUPAC name of phenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate?
The IUPAC name of phenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate (CID 137372890) is phenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate.
What is the SMILES notation for phenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate?
The canonical SMILES for phenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate is CC(NC(=O)c1ccc(Cl)s1)C1CCN(C(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate?
The InChIKey is AJOPLUVUDBIUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3S/c1-13(21-18(23)16-7-8-17(20)26-16)14-9-11-22(12-10-14)19(24)25-15-5-3-2-4-6-15/h2-8,13-14H,9-12H2,1H3,(H,21,23).
What are the key properties of phenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate?
phenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate has a molecular weight of 392.91 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate is sourced from PubChem (CID 137372890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).