N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine

C13H24N4O — CID 43607122

IUPACN-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine
SMILESCCCCc1noc(CN(C)C2CCNCC2)n1
InChIInChI=1S/C13H24N4O/c1-3-4-5-12-15-13(18-16-12)10-17(2)11-6-8-14-9-7-11/h11,14H,3-10H2,1-2H3
InChIKeyRMXWVZVPWQOGTE-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.60
Rot. Bonds6

About N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine

N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine (PubChem CID 43607122) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine
PubChem CID43607122
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine
SMILESCCCCc1noc(CN(C)C2CCNCC2)n1
InChIInChI=1S/C13H24N4O/c1-3-4-5-12-15-13(18-16-12)10-17(2)11-6-8-14-9-7-11/h11,14H,3-10H2,1-2H3
InChIKeyRMXWVZVPWQOGTE-UHFFFAOYSA-N
XLogP1.60
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607336
N-methyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 63301786
N-methyl-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
CID 55249313
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119923037
N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607543
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 134039099
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119913209
N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119912855
N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
CID 43607304
4-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66236625
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119913147
N-propyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
CID 63304349

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine (CID 43607122) is N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine is CCCCc1noc(CN(C)C2CCNCC2)n1.
What is the InChIKey of N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is RMXWVZVPWQOGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-4-5-12-15-13(18-16-12)10-17(2)11-6-8-14-9-7-11/h11,14H,3-10H2,1-2H3.
What are the key properties of N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine?
N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine has a molecular weight of 252.36 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 43607122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).