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

C22H28N6O — CID 31192252

IUPACN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[3-(2-methylpyrimidin-4-yl)phenyl]piperidin-4-amine
SMILESCCc1nnc(CN(C)C2CCN(c3cccc(-c4ccnc(C)n4)c3)CC2)o1
InChIInChI=1S/C22H28N6O/c1-4-21-25-26-22(29-21)15-27(3)18-9-12-28(13-10-18)19-7-5-6-17(14-19)20-8-11-23-16(2)24-20/h5-8,11,14,18H,4,9-10,12-13,15H2,1-3H3
InChIKeyIPWCFANKBXGCAO-UHFFFAOYSA-N
MW392.51 g/mol
LogP3.50
Rot. Bonds6

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

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[3-(2-methylpyrimidin-4-yl)phenyl]piperidin-4-amine (PubChem CID 31192252) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[3-(2-methylpyrimidin-4-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[3-(2-methylpyrimidin-4-yl)phenyl]piperidin-4-amine
PubChem CID31192252
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC NameN-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[3-(2-methylpyrimidin-4-yl)phenyl]piperidin-4-amine
SMILESCCc1nnc(CN(C)C2CCN(c3cccc(-c4ccnc(C)n4)c3)CC2)o1
InChIInChI=1S/C22H28N6O/c1-4-21-25-26-22(29-21)15-27(3)18-9-12-28(13-10-18)19-7-5-6-17(14-19)20-8-11-23-16(2)24-20/h5-8,11,14,18H,4,9-10,12-13,15H2,1-3H3
InChIKeyIPWCFANKBXGCAO-UHFFFAOYSA-N
XLogP3.50
TPSA71.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(2-Methylpyrimidin-4-yl)anilino]-1-morpholin-4-ylethanone
CID 36846379
N-(3,4-dimethylphenyl)-1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2,4-triazole-3-carboxamide
CID 45281096
4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl]-1-phenylpiperazin-2-one
CID 46987426
2-benzyl-5-[(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3,4-oxadiazole
CID 53565576
2-benzyl-5-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3,4-oxadiazole
CID 53626465
2-benzyl-5-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-ylmethyl)-1,3,4-oxadiazole
CID 56778114
2-benzyl-5-[(2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-1,3,4-oxadiazole
CID 72140243
4-{2-[5-(2-ethylpyrimidin-4-yl)-4-phenyl-1H-imidazol-1-yl]ethyl}morpholine
CID 50952069
N-[3-[2-[5-methyl-4-(2-morpholin-4-ylethyl)-1,2,4-triazol-3-yl]-4-pyridinyl]phenyl]acetamide
CID 134809943
4-[4-(1,3-dimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl]-1-(4-fluorobenzyl)piperazin-2-one
CID 46992990
1-(3-fluorobenzyl)-4-[4-(1,3,5-trimethyl-1H-pyrazol-4-yl)pyrimidin-2-yl]piperazin-2-one
CID 46996433
5-ethyl-2-{1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1H-imidazol-5-yl}pyridine
CID 50966632

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[3-(2-methylpyrimidin-4-yl)phenyl]piperidin-4-amine?
The IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[3-(2-methylpyrimidin-4-yl)phenyl]piperidin-4-amine (CID 31192252) is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[3-(2-methylpyrimidin-4-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[3-(2-methylpyrimidin-4-yl)phenyl]piperidin-4-amine?
The canonical SMILES for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[3-(2-methylpyrimidin-4-yl)phenyl]piperidin-4-amine is CCc1nnc(CN(C)C2CCN(c3cccc(-c4ccnc(C)n4)c3)CC2)o1.
What is the InChIKey of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[3-(2-methylpyrimidin-4-yl)phenyl]piperidin-4-amine?
The InChIKey is IPWCFANKBXGCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O/c1-4-21-25-26-22(29-21)15-27(3)18-9-12-28(13-10-18)19-7-5-6-17(14-19)20-8-11-23-16(2)24-20/h5-8,11,14,18H,4,9-10,12-13,15H2,1-3H3.
What are the key properties of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[3-(2-methylpyrimidin-4-yl)phenyl]piperidin-4-amine?
N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[3-(2-methylpyrimidin-4-yl)phenyl]piperidin-4-amine has a molecular weight of 392.51 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-1-[3-(2-methylpyrimidin-4-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 31192252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).