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

C16H24N6O2 — CID 56802392

IUPACN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
SMILESCc1nc(CN2CCCC(N(C)Cc3nnc(C4CC4)o3)C2)no1
InChIInChI=1S/C16H24N6O2/c1-11-17-14(20-24-11)9-22-7-3-4-13(8-22)21(2)10-15-18-19-16(23-15)12-5-6-12/h12-13H,3-10H2,1-2H3
InChIKeyYHQPTNBPGNJAHA-UHFFFAOYSA-N
MW332.41 g/mol
LogP1.73
Rot. Bonds6

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

N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine (PubChem CID 56802392) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
PubChem CID56802392
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC NameN-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine
SMILESCc1nc(CN2CCCC(N(C)Cc3nnc(C4CC4)o3)C2)no1
InChIInChI=1S/C16H24N6O2/c1-11-17-14(20-24-11)9-22-7-3-4-13(8-22)21(2)10-15-18-19-16(23-15)12-5-6-12/h12-13H,3-10H2,1-2H3
InChIKeyYHQPTNBPGNJAHA-UHFFFAOYSA-N
XLogP1.73
TPSA84.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine
CID 97028097
1-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpyrrolidin-3-amine
CID 75373793
(3S)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-3-amine
CID 95978626
(3R)-N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-N-methylpyrrolidin-3-amine
CID 97067026
(3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-methylsulfonylethyl)piperidin-3-amine
CID 95610360
(3S)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 97217433
(3S)-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(2-pyridin-4-ylethyl)piperidin-3-amine
CID 97074219
3-[methyl-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]propane-1-sulfonamide
CID 154747968
(3R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methylpiperidin-3-amine
CID 95614088
4-fluoro-3-[[methyl-[(3R)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]benzonitrile
CID 95606335
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N,N-dimethylpiperidin-3-amine;dihydrochloride
CID 120752789
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 75373783

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine?
The IUPAC name of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine (CID 56802392) is N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine is Cc1nc(CN2CCCC(N(C)Cc3nnc(C4CC4)o3)C2)no1.
What is the InChIKey of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine?
The InChIKey is YHQPTNBPGNJAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-11-17-14(20-24-11)9-22-7-3-4-13(8-22)21(2)10-15-18-19-16(23-15)12-5-6-12/h12-13H,3-10H2,1-2H3.
What are the key properties of N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine?
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine has a molecular weight of 332.41 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 56802392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).