1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine

C18H24N4O — CID 131900364

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine
SMILESCc1nonc1CNC1CCN(c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H24N4O/c1-13-18(21-23-20-13)12-19-16-7-9-22(10-8-16)17-6-5-14-3-2-4-15(14)11-17/h5-6,11,16,19H,2-4,7-10,12H2,1H3
InChIKeyRRZHQQFBDGMTJJ-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.63
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine

1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine (PubChem CID 131900364) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine
PubChem CID131900364
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine
SMILESCc1nonc1CNC1CCN(c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H24N4O/c1-13-18(21-23-20-13)12-19-16-7-9-22(10-8-16)17-6-5-14-3-2-4-15(14)11-17/h5-6,11,16,19H,2-4,7-10,12H2,1H3
InChIKeyRRZHQQFBDGMTJJ-UHFFFAOYSA-N
XLogP2.63
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine (CID 131900364) is 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine is Cc1nonc1CNC1CCN(c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine?
The InChIKey is RRZHQQFBDGMTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-13-18(21-23-20-13)12-19-16-7-9-22(10-8-16)17-6-5-14-3-2-4-15(14)11-17/h5-6,11,16,19H,2-4,7-10,12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine?
1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine has a molecular weight of 312.42 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 131900364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).