tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate

C18H27ClN2O3S — CID 174994554

IUPACtert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate
SMILESCC(CC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C18H27ClN2O3S/c1-12(20-16(22)14-5-6-15(19)25-14)11-13-7-9-21(10-8-13)17(23)24-18(2,3)4/h5-6,12-13H,7-11H2,1-4H3,(H,20,22)
InChIKeyPIZLHTWHHLMDAX-UHFFFAOYSA-N
MW386.95 g/mol
LogP4.56
Rot. Bonds4

About tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate

tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate (PubChem CID 174994554) has the molecular formula C18H27ClN2O3S and a molecular weight of 386.95 g/mol. Its IUPAC name is tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate
PubChem CID174994554
Molecular FormulaC18H27ClN2O3S
Molecular Weight386.95 g/mol
Exact Mass386.14
IUPAC Nametert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate
SMILESCC(CC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)c1ccc(Cl)s1
InChIInChI=1S/C18H27ClN2O3S/c1-12(20-16(22)14-5-6-15(19)25-14)11-13-7-9-21(10-8-13)17(23)24-18(2,3)4/h5-6,12-13H,7-11H2,1-4H3,(H,20,22)
InChIKeyPIZLHTWHHLMDAX-UHFFFAOYSA-N
XLogP4.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-4-methylpentyl]piperidine-1-carboxylate
CID 137373033
tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]-3-ethoxy-3-oxopropyl]piperidine-1-carboxylate
CID 137373257
magnesium;tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[[(S)-tert-butylsulfinyl]amino]propyl]piperidine-1-carboxylate;tert-butyl 4-[2-[(S)-tert-butylsulfinyl]iminoethyl]piperidine-1-carboxylate;tert-butyl 4-[(2R)-2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate;carbanide;5-chlorothiophene-2-carboxylic acid;methane;methanol;chloride;hydrochloride
CID 161080008
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-[(5-methylthiophene-2-carbonyl)amino]propanoic acid
CID 142509398
4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylic acid
CID 137372825
tert-butyl 4-[(2S)-2-[(4-chlorobenzoyl)amino]-2-cyclopropylethyl]piperidine-1-carboxylate
CID 137373052
phenyl 4-[1-[(5-chlorothiophene-2-carbonyl)amino]ethyl]piperidine-1-carboxylate
CID 137372890
tert-butyl 4-[(2R)-2-aminopropyl]piperidine-1-carboxylate
CID 129406783
tert-butyl 4-[(2S)-2-aminopropyl]piperidine-1-carboxylate
CID 129406782
tert-butyl 4-[[[6-chloro-3-(propan-2-ylcarbamoyl)pyridazin-4-yl]amino]methyl]piperidine-1-carboxylate
CID 174159641
tert-butyl 4-(2-aminopropyl)piperidine-1-carboxylate;hydrochloride
CID 174994313
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate (CID 174994554) is tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate is CC(CC1CCN(C(=O)OC(C)(C)C)CC1)NC(=O)c1ccc(Cl)s1.
What is the InChIKey of tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate?
The InChIKey is PIZLHTWHHLMDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3S/c1-12(20-16(22)14-5-6-15(19)25-14)11-13-7-9-21(10-8-13)17(23)24-18(2,3)4/h5-6,12-13H,7-11H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate has a molecular weight of 386.95 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[(5-chlorothiophene-2-carbonyl)amino]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 174994554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).