1-(2,3-dimethylphenyl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine;formic acid

C20H30N4O3 — CID 154907320

IUPAC1-(2,3-dimethylphenyl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine;formic acid
SMILESCCc1nc(CCNC2CCN(c3cccc(C)c3C)CC2)no1.O=CO
InChIInChI=1S/C19H28N4O.CH2O2/c1-4-19-21-18(22-24-19)8-11-20-16-9-12-23(13-10-16)17-7-5-6-14(2)15(17)3;2-1-3/h5-7,16,20H,4,8-13H2,1-3H3;1H,(H,2,3)
InChIKeyKZDHRMGTYKPHKM-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.75
Rot. Bonds6

About 1-(2,3-dimethylphenyl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine;formic acid

1-(2,3-dimethylphenyl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine;formic acid (PubChem CID 154907320) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine;formic acid.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine;formic acid
PubChem CID154907320
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name1-(2,3-dimethylphenyl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine;formic acid
SMILESCCc1nc(CCNC2CCN(c3cccc(C)c3C)CC2)no1.O=CO
InChIInChI=1S/C19H28N4O.CH2O2/c1-4-19-21-18(22-24-19)8-11-20-16-9-12-23(13-10-16)17-7-5-6-14(2)15(17)3;2-1-3/h5-7,16,20H,4,8-13H2,1-3H3;1H,(H,2,3)
InChIKeyKZDHRMGTYKPHKM-UHFFFAOYSA-N
XLogP2.75
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dimethylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]piperidin-4-amine
CID 122571193
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2,3-dimethylphenyl)piperidin-4-amine
CID 56705521
3-(cycloheptylamino)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 109029569
1-(2,3-dimethylphenyl)-N-[[(2S)-morpholin-2-yl]methyl]piperidin-4-amine
CID 126441523
1-(3-bromo-2-methylphenyl)-N-propylpiperidin-4-amine
CID 107636284
N-[2-(3-propyl-1,2,4-oxadiazol-5-yl)ethyl]cyclopropanamine
CID 60837903
1-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-3-[3-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]urea
CID 97452094
4-(2,3-dimethylphenyl)-N-ethyl-N'-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111238358
N-[(2-ethylpyrimidin-5-yl)methyl]-1-(3-methylphenyl)piperidin-4-amine;formic acid
CID 154912859
N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 72884894
N-[[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 63847714
2-[[[(3R)-1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-3-yl]amino]methyl]-6-methylpyridin-3-ol
CID 95299359

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine;formic acid?
The IUPAC name of 1-(2,3-dimethylphenyl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine;formic acid (CID 154907320) is 1-(2,3-dimethylphenyl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine;formic acid.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine;formic acid?
The canonical SMILES for 1-(2,3-dimethylphenyl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine;formic acid is CCc1nc(CCNC2CCN(c3cccc(C)c3C)CC2)no1.O=CO.
What is the InChIKey of 1-(2,3-dimethylphenyl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine;formic acid?
The InChIKey is KZDHRMGTYKPHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O.CH2O2/c1-4-19-21-18(22-24-19)8-11-20-16-9-12-23(13-10-16)17-7-5-6-14(2)15(17)3;2-1-3/h5-7,16,20H,4,8-13H2,1-3H3;1H,(H,2,3).
What are the key properties of 1-(2,3-dimethylphenyl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine;formic acid?
1-(2,3-dimethylphenyl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine;formic acid has a molecular weight of 374.49 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-N-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)ethyl]piperidin-4-amine;formic acid is sourced from PubChem (CID 154907320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).