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

C18H23N5O2 — CID 171328942

IUPACN-(1,2-benzoxazol-3-ylmethyl)-N-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
SMILESCc1noc(CN2CCC(N(C)Cc3noc4ccccc34)CC2)n1
InChIInChI=1S/C18H23N5O2/c1-13-19-18(25-20-13)12-23-9-7-14(8-10-23)22(2)11-16-15-5-3-4-6-17(15)24-21-16/h3-6,14H,7-12H2,1-2H3
InChIKeyQQRBDOMSMIWUIA-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.62
Rot. Bonds5

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

N-(1,2-benzoxazol-3-ylmethyl)-N-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine (PubChem CID 171328942) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-ylmethyl)-N-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-ylmethyl)-N-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
PubChem CID171328942
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-(1,2-benzoxazol-3-ylmethyl)-N-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine
SMILESCc1noc(CN2CCC(N(C)Cc3noc4ccccc34)CC2)n1
InChIInChI=1S/C18H23N5O2/c1-13-19-18(25-20-13)12-23-9-7-14(8-10-23)22(2)11-16-15-5-3-4-6-17(15)24-21-16/h3-6,14H,7-12H2,1-2H3
InChIKeyQQRBDOMSMIWUIA-UHFFFAOYSA-N
XLogP2.62
TPSA71.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,2-benzoxazol-3-ylmethyl)-1-[(3-fluorophenyl)methyl]-N-methylpiperidin-4-amine
CID 171329070
4-[[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 171328941
[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 171329094
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]phenol
CID 32825591
[4-[1,2-benzoxazol-3-ylmethyl(methyl)amino]piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 171338016
N-cyclopropyl-N-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126890073
1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxylic acid
CID 43414257
(3S)-1-(1,3-benzoxazol-2-ylmethyl)-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 96512131
3-[[4-(2,2,2-trifluoroethyl)piperidin-1-yl]methyl]-1,2-benzoxazole
CID 171326546
N-methyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 79119503
3-methyl-5-(thiomorpholin-4-ylmethyl)-1,2,4-oxadiazole
CID 126853112
1-(1,2-benzoxazol-3-yl)-N-methyl-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 171997378

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-ylmethyl)-N-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
The IUPAC name of N-(1,2-benzoxazol-3-ylmethyl)-N-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine (CID 171328942) is N-(1,2-benzoxazol-3-ylmethyl)-N-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(1,2-benzoxazol-3-ylmethyl)-N-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
The canonical SMILES for N-(1,2-benzoxazol-3-ylmethyl)-N-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine is Cc1noc(CN2CCC(N(C)Cc3noc4ccccc34)CC2)n1.
What is the InChIKey of N-(1,2-benzoxazol-3-ylmethyl)-N-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
The InChIKey is QQRBDOMSMIWUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-19-18(25-20-13)12-23-9-7-14(8-10-23)22(2)11-16-15-5-3-4-6-17(15)24-21-16/h3-6,14H,7-12H2,1-2H3.
What are the key properties of N-(1,2-benzoxazol-3-ylmethyl)-N-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine?
N-(1,2-benzoxazol-3-ylmethyl)-N-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine has a molecular weight of 341.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-ylmethyl)-N-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 171328942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).