N,N-dimethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]aniline

C19H28N4O — CID 53191881

IUPACN,N-dimethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]aniline
SMILESCC(C)c1noc(C2CCCCN2Cc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C19H28N4O/c1-14(2)18-20-19(24-21-18)17-7-5-6-12-23(17)13-15-8-10-16(11-9-15)22(3)4/h8-11,14,17H,5-7,12-13H2,1-4H3
InChIKeyCFYNLGWZGRWEKM-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.99
Rot. Bonds5

About N,N-dimethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]aniline

N,N-dimethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]aniline (PubChem CID 53191881) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N,N-dimethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]aniline
PubChem CID53191881
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN,N-dimethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]aniline
SMILESCC(C)c1noc(C2CCCCN2Cc2ccc(N(C)C)cc2)n1
InChIInChI=1S/C19H28N4O/c1-14(2)18-20-19(24-21-18)17-7-5-6-12-23(17)13-15-8-10-16(11-9-15)22(3)4/h8-11,14,17H,5-7,12-13H2,1-4H3
InChIKeyCFYNLGWZGRWEKM-UHFFFAOYSA-N
XLogP3.99
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]aniline (CID 53191881) is N,N-dimethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]aniline is CC(C)c1noc(C2CCCCN2Cc2ccc(N(C)C)cc2)n1.
What is the InChIKey of N,N-dimethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]aniline?
The InChIKey is CFYNLGWZGRWEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14(2)18-20-19(24-21-18)17-7-5-6-12-23(17)13-15-8-10-16(11-9-15)22(3)4/h8-11,14,17H,5-7,12-13H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]aniline?
N,N-dimethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]aniline has a molecular weight of 328.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]aniline is sourced from PubChem (CID 53191881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).