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

C12H22N4O — CID 119923360

IUPACN-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
SMILESCCCc1noc(CN2CCC(NC)CC2)n1
InChIInChI=1S/C12H22N4O/c1-3-4-11-14-12(17-15-11)9-16-7-5-10(13-2)6-8-16/h10,13H,3-9H2,1-2H3
InChIKeyMQUSCJWXAQLKTM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.21
Rot. Bonds5

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

N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine (PubChem CID 119923360) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
PubChem CID119923360
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
SMILESCCCc1noc(CN2CCC(NC)CC2)n1
InChIInChI=1S/C12H22N4O/c1-3-4-11-14-12(17-15-11)9-16-7-5-10(13-2)6-8-16/h10,13H,3-9H2,1-2H3
InChIKeyMQUSCJWXAQLKTM-UHFFFAOYSA-N
XLogP1.21
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine;hydrochloride
CID 119907718
(3R)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905236
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923772
1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60722318
ethyl 1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylate
CID 60722255
3-propyl-5-[(4-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 63257101
4-methyl-N-[1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 49448670
5-[[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 154774973
1-[1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63267588
(3R)-1-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol
CID 112733993
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]cyclopropanamine
CID 60722113
methyl (3S)-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxylate
CID 79038420

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine (CID 119923360) is N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine is CCCc1noc(CN2CCC(NC)CC2)n1.
What is the InChIKey of N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is MQUSCJWXAQLKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-4-11-14-12(17-15-11)9-16-7-5-10(13-2)6-8-16/h10,13H,3-9H2,1-2H3.
What are the key properties of N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 238.33 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 119923360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).