N-(2-aminoethyl)-1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxamide

C17H22N4O3S — CID 119479550

IUPACN-(2-aminoethyl)-1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)Cc2coc(-c3cccs3)n2)C1
InChIInChI=1S/C17H22N4O3S/c18-5-6-19-16(23)12-3-1-7-21(10-12)15(22)9-13-11-24-17(20-13)14-4-2-8-25-14/h2,4,8,11-12H,1,3,5-7,9-10,18H2,(H,19,23)
InChIKeyAHPOVFZLRDKDPS-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.26
Rot. Bonds6

About N-(2-aminoethyl)-1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxamide (PubChem CID 119479550) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxamide
PubChem CID119479550
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC NameN-(2-aminoethyl)-1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)Cc2coc(-c3cccs3)n2)C1
InChIInChI=1S/C17H22N4O3S/c18-5-6-19-16(23)12-3-1-7-21(10-12)15(22)9-13-11-24-17(20-13)14-4-2-8-25-14/h2,4,8,11-12H,1,3,5-7,9-10,18H2,(H,19,23)
InChIKeyAHPOVFZLRDKDPS-UHFFFAOYSA-N
XLogP1.26
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119167729
N-(2-aminoethyl)-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide;dihydrochloride
CID 119481880
1-(3-aminopiperidin-1-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone
CID 119377508
N-(2-aminoethyl)-1-[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]piperidine-3-carboxamide;hydrochloride
CID 119481974
N-(2-aminoethyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide;hydrochloride
CID 119482272
N-(2-aminoethyl)-1-(4-thiophen-2-ylbutanoyl)piperidine-3-carboxamide
CID 119482155
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119635255
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119661796
N-(2-aminoethyl)-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
CID 119916720
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119596982
2-[(2S)-4-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]morpholin-2-yl]acetic acid
CID 124702570
N-(2-aminoethyl)-1-[2-(2,6-difluorophenyl)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119482040

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxamide (CID 119479550) is N-(2-aminoethyl)-1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)Cc2coc(-c3cccs3)n2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is AHPOVFZLRDKDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c18-5-6-19-16(23)12-3-1-7-21(10-12)15(22)9-13-11-24-17(20-13)14-4-2-8-25-14/h2,4,8,11-12H,1,3,5-7,9-10,18H2,(H,19,23).
What are the key properties of N-(2-aminoethyl)-1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 119479550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).