(3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

C20H33N5O2 — CID 154785236

IUPAC(3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCN1CCC(N)(C(=O)N2CCC(Cc3nc(C4CCCCC4)no3)CC2)C1
InChIInChI=1S/C20H33N5O2/c1-24-12-9-20(21,14-24)19(26)25-10-7-15(8-11-25)13-17-22-18(23-27-17)16-5-3-2-4-6-16/h15-16H,2-14,21H2,1H3
InChIKeyWHFBKJNHEVLYRA-UHFFFAOYSA-N
MW375.52 g/mol
LogP1.93
Rot. Bonds4

About (3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone

(3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (PubChem CID 154785236) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is (3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
PubChem CID154785236
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name(3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone
SMILESCN1CCC(N)(C(=O)N2CCC(Cc3nc(C4CCCCC4)no3)CC2)C1
InChIInChI=1S/C20H33N5O2/c1-24-12-9-20(21,14-24)19(26)25-10-7-15(8-11-25)13-17-22-18(23-27-17)16-5-3-2-4-6-16/h15-16H,2-14,21H2,1H3
InChIKeyWHFBKJNHEVLYRA-UHFFFAOYSA-N
XLogP1.93
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone (CID 154785236) is (3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is CN1CCC(N)(C(=O)N2CCC(Cc3nc(C4CCCCC4)no3)CC2)C1.
What is the InChIKey of (3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is WHFBKJNHEVLYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-24-12-9-20(21,14-24)19(26)25-10-7-15(8-11-25)13-17-22-18(23-27-17)16-5-3-2-4-6-16/h15-16H,2-14,21H2,1H3.
What are the key properties of (3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone?
(3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 375.52 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1-methylpyrrolidin-3-yl)-[4-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 154785236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).