N-(2-aminoethyl)-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide

C16H22N4O2S — CID 119916720

IUPACN-(2-aminoethyl)-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2cc(-c3cccs3)on2)C1
InChIInChI=1S/C16H22N4O2S/c17-5-6-18-16(21)12-3-1-7-20(10-12)11-13-9-14(22-19-13)15-4-2-8-23-15/h2,4,8-9,12H,1,3,5-7,10-11,17H2,(H,18,21)
InChIKeyNAMWWMUNXBFCIH-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.69
Rot. Bonds6

About N-(2-aminoethyl)-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide (PubChem CID 119916720) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
PubChem CID119916720
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC NameN-(2-aminoethyl)-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2cc(-c3cccs3)on2)C1
InChIInChI=1S/C16H22N4O2S/c17-5-6-18-16(21)12-3-1-7-20(10-12)11-13-9-14(22-19-13)15-4-2-8-23-15/h2,4,8-9,12H,1,3,5-7,10-11,17H2,(H,18,21)
InChIKeyNAMWWMUNXBFCIH-UHFFFAOYSA-N
XLogP1.69
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-pyrrolidin-1-ylpropyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935177
N-(2-aminoethyl)-1-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 82869536
N-(2-aminoethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 63251974
N-(2-aminoethyl)-1-(1,3-thiazol-4-ylmethyl)piperidine-3-carboxamide
CID 63253183
N-(2-aminoethyl)-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxamide;dihydrochloride
CID 119481880
N-[3-(4-methylpiperidin-1-yl)propyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935179
N-(2-aminoethyl)-1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-3-carboxamide
CID 63252759
1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrrolidin-3-amine
CID 55029906
N-(2-aminoethyl)-1-[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]piperidine-3-carboxamide
CID 119479550
N-[2-(N-methylanilino)ethyl]-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43935188
N-(2-aminoethyl)-1-[(4,5-dibromofuran-2-yl)methyl]piperidine-3-carboxamide
CID 63252329
N-(2-phenylsulfanylethyl)-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934961

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide (CID 119916720) is N-(2-aminoethyl)-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(Cc2cc(-c3cccs3)on2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide?
The InChIKey is NAMWWMUNXBFCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c17-5-6-18-16(21)12-3-1-7-20(10-12)11-13-9-14(22-19-13)15-4-2-8-23-15/h2,4,8-9,12H,1,3,5-7,10-11,17H2,(H,18,21).
What are the key properties of N-(2-aminoethyl)-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide has a molecular weight of 334.45 g/mol, XLogP of 1.69, 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-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 119916720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).