N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine

C15H28N4O — CID 56705741

IUPACN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESCCc1noc(C(C)NC2CCN(CC(C)C)CC2)n1
InChIInChI=1S/C15H28N4O/c1-5-14-17-15(20-18-14)12(4)16-13-6-8-19(9-7-13)10-11(2)3/h11-13,16H,5-10H2,1-4H3
InChIKeyXMHSNVGNFRGIKU-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.40
Rot. Bonds6

About N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine

N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 56705741) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
PubChem CID56705741
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC NameN-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESCCc1noc(C(C)NC2CCN(CC(C)C)CC2)n1
InChIInChI=1S/C15H28N4O/c1-5-14-17-15(20-18-14)12(4)16-13-6-8-19(9-7-13)10-11(2)3/h11-13,16H,5-10H2,1-4H3
InChIKeyXMHSNVGNFRGIKU-UHFFFAOYSA-N
XLogP2.40
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-((3-(Cyclopropylmethyl)-1,2,4-oxadiazol-5-yl)methyl)piperazin-1-yl)-N,N-dimethylacetamide
CID 16190695
3-Methyl-5-piperazin-2-yl-1,2,4-oxadiazole
CID 14742608
1-[1-(3-Ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine
CID 54592609
1-(1-(3-Methyl-1,2,4-oxadiazol-5-yl)ethyl)piperazine
CID 54592607
1-Methyl-3-(3-methyl-1,2,4-oxadiazol-5-YL)piperazine
CID 14742613
5-(4-Methylpiperazin-2-YL)-1,2,4-oxadiazol-3-amine
CID 14742615
N-isopropyl-2-(4-{[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl}piperazin-1-yl)acetamide
CID 16189997
3-[5-(Propan-2-yl)-1,2,4-oxadiazol-3-yl]piperidine hydrochloride
CID 50988079
2-(5-Methyl-1,2,4-oxadiazol-3-yl)piperidine hydrochloride
CID 50988175
2-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidine hydrochloride
CID 53398864
3-Ethyl-5-[1-(4-methylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 42946511
N-(cyclopropylmethyl)-1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 45826763

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine (CID 56705741) is N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine is CCc1noc(C(C)NC2CCN(CC(C)C)CC2)n1.
What is the InChIKey of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is XMHSNVGNFRGIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-14-17-15(20-18-14)12(4)16-13-6-8-19(9-7-13)10-11(2)3/h11-13,16H,5-10H2,1-4H3.
What are the key properties of N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine?
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 280.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 56705741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).