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

C12H22N4O — CID 55246462

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1nnc(C)o1)C1CCCNC1
InChIInChI=1S/C12H22N4O/c1-3-7-16(11-5-4-6-13-8-11)9-12-15-14-10(2)17-12/h11,13H,3-9H2,1-2H3
InChIKeyXIQPCKBXQLIVNQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.34
Rot. Bonds5

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

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine (PubChem CID 55246462) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine
PubChem CID55246462
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1nnc(C)o1)C1CCCNC1
InChIInChI=1S/C12H22N4O/c1-3-7-16(11-5-4-6-13-8-11)9-12-15-14-10(2)17-12/h11,13H,3-9H2,1-2H3
InChIKeyXIQPCKBXQLIVNQ-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 38146777
N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]propanamide
CID 45826491
Dimethyl({[5-(piperidin-2-yl)-1,3,4-oxadiazol-2-yl]methyl})amine
CID 82673192
N-cyclopentyl-N,N'-dimethyl-N'-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethane-1,2-diamine
CID 91839958
(3S)-4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-3-methylpiperazin-2-one
CID 95157382
2-[[(3S)-4-cyclopentyl-3-methylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 164637327
4-({3-Methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4,5-dihydro-1h-pyrazol-5-yl}methyl)morpholine
CID 176515696
N,N-dimethyl-1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-amine
CID 146121185
N-(propan-2-yl)-2-(4-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperazin-1-yl)propanamide
CID 163344537
2,2-dimethyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-4-yl)propanamide
CID 163354475
2,2-dimethyl-N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-3-yl)propanamide
CID 163357594
N-(1-{[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl}piperidin-3-yl)acetamide
CID 172880714

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine (CID 55246462) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine is CCCN(Cc1nnc(C)o1)C1CCCNC1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine?
The InChIKey is XIQPCKBXQLIVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-3-7-16(11-5-4-6-13-8-11)9-12-15-14-10(2)17-12/h11,13H,3-9H2,1-2H3.
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine has a molecular weight of 238.33 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-N-propylpiperidin-3-amine is sourced from PubChem (CID 55246462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).