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

C20H28N4O — CID 56897227

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine
SMILESCN1CCC(N(CCc2ccccc2)Cc2noc(C3CC3)n2)CC1
InChIInChI=1S/C20H28N4O/c1-23-12-10-18(11-13-23)24(14-9-16-5-3-2-4-6-16)15-19-21-20(25-22-19)17-7-8-17/h2-6,17-18H,7-15H2,1H3
InChIKeyDLPOBYFGHKGDCW-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.09
Rot. Bonds7

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

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine (PubChem CID 56897227) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine
PubChem CID56897227
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine
SMILESCN1CCC(N(CCc2ccccc2)Cc2noc(C3CC3)n2)CC1
InChIInChI=1S/C20H28N4O/c1-23-12-10-18(11-13-23)24(14-9-16-5-3-2-4-6-16)15-19-21-20(25-22-19)17-7-8-17/h2-6,17-18H,7-15H2,1H3
InChIKeyDLPOBYFGHKGDCW-UHFFFAOYSA-N
XLogP3.09
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

Prenoxdiazine
CID 120508
Proxazole
CID 8590
4-[3-(1-Methylethyl)-1,2,4-Oxadiazol-5-Yl]-N-[(1s,2r)-2-Phenylcyclopropyl]piperidine-1-Carboxamide
CID 49837853
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45271599
N-((1S)-3-(4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590946
Libexin
CID 120507
1'-({3-[3-(Trifluoromethyl)benzyl]-1,2,4-oxadiazol-5-yl}methyl)-1,4'-bipiperidine
CID 16189871
1-(Cyclopropylmethyl)-4-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine
CID 16189935
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-4-[(2E)-3-phenyl-2-propen-1-yl]piperazine
CID 16191682
(S)-N-(3-(4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl)-1-phenylpropyl)cyclobutanecarboxamide
CID 44415783
N-((1S)-3-(4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl)-1-phenylbutyl)cyclobutanecarboxamide
CID 44590945
1-{[3-(Cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(2-methylphenyl)piperidine
CID 16187325

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine (CID 56897227) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine is CN1CCC(N(CCc2ccccc2)Cc2noc(C3CC3)n2)CC1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine?
The InChIKey is DLPOBYFGHKGDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-23-12-10-18(11-13-23)24(14-9-16-5-3-2-4-6-16)15-19-21-20(25-22-19)17-7-8-17/h2-6,17-18H,7-15H2,1H3.
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine has a molecular weight of 340.47 g/mol, XLogP of 3.09, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-methyl-N-(2-phenylethyl)piperidin-4-amine is sourced from PubChem (CID 56897227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).