tert-butyl formate;N-butyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine

C22H35N5O3 — CID 174713468

IUPACtert-butyl formate;N-butyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
SMILESCC(C)(C)OC=O.CCCCN(Cc1nc(-c2ccncc2)no1)C1CCNCC1
InChIInChI=1S/C17H25N5O.C5H10O2/c1-2-3-12-22(15-6-10-19-11-7-15)13-16-20-17(21-23-16)14-4-8-18-9-5-14;1-5(2,3)7-4-6/h4-5,8-9,15,19H,2-3,6-7,10-13H2,1H3;4H,1-3H3
InChIKeyQQQQTLWAOPYBEW-UHFFFAOYSA-N
MW417.55 g/mol
LogP3.44
Rot. Bonds8

About tert-butyl formate;N-butyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine

tert-butyl formate;N-butyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine (PubChem CID 174713468) has the molecular formula C22H35N5O3 and a molecular weight of 417.55 g/mol. Its IUPAC name is tert-butyl formate;N-butyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Nametert-butyl formate;N-butyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
PubChem CID174713468
Molecular FormulaC22H35N5O3
Molecular Weight417.55 g/mol
Exact Mass417.27
IUPAC Nametert-butyl formate;N-butyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
SMILESCC(C)(C)OC=O.CCCCN(Cc1nc(-c2ccncc2)no1)C1CCNCC1
InChIInChI=1S/C17H25N5O.C5H10O2/c1-2-3-12-22(15-6-10-19-11-7-15)13-16-20-17(21-23-16)14-4-8-18-9-5-14;1-5(2,3)7-4-6/h4-5,8-9,15,19H,2-3,6-7,10-13H2,1H3;4H,1-3H3
InChIKeyQQQQTLWAOPYBEW-UHFFFAOYSA-N
XLogP3.44
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.55
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze tert-butyl formate;N-butyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl formate;N-methyl-1-piperidin-4-yl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 174704864
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpiperidin-4-amine
CID 119933143
N-piperidin-4-yl-N-propyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119823978
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607543
N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-pyrrolidin-3-ylmethanamine;dihydrochloride
CID 154895780
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913209
N-butyl-N-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,1-dioxothiolan-3-amine
CID 126780658
N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43607304
4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-yl-N-propylbutanamide
CID 119824065
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidin-3-amine
CID 63301628
4-[cyclopropyl-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]amino]butan-1-ol
CID 111457038
5-(4-hexylcyclohexyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 5008897

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;N-butyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of tert-butyl formate;N-butyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine (CID 174713468) is tert-butyl formate;N-butyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for tert-butyl formate;N-butyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for tert-butyl formate;N-butyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine is CC(C)(C)OC=O.CCCCN(Cc1nc(-c2ccncc2)no1)C1CCNCC1.
What is the InChIKey of tert-butyl formate;N-butyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is QQQQTLWAOPYBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O.C5H10O2/c1-2-3-12-22(15-6-10-19-11-7-15)13-16-20-17(21-23-16)14-4-8-18-9-5-14;1-5(2,3)7-4-6/h4-5,8-9,15,19H,2-3,6-7,10-13H2,1H3;4H,1-3H3.
What are the key properties of tert-butyl formate;N-butyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
tert-butyl formate;N-butyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 417.55 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;N-butyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 174713468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).